Tuesday, June 28, 2011

http://ChemLookup.com Compounds




CAS RN: 882500-21-2
CAS Name: 5-bromo-6-(trifluoromethyl)-2-pyridinamine
OPENEYE Name: 5-bromo-6-(trifluoromethyl)pyridin-2-amine
IUPAC Name: 5-bromo-6-(trifluoromethyl)pyridin-2-amine
SYSTEMATIC NAME: 5-bromanyl-6-(trifluoromethyl)pyridin-2-amine
MOLECULAR FORMULA: C6H4BrF3N2
MOLECULAR WEIGHT: 241.00857
SMILES: C1=CC(=NC(=C1Br)C(F)(F)F)N

CAS RN: 876343-82-7
CAS Name: 5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine
OPENEYE Name: 5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine
IUPAC Name: 5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine
SYSTEMATIC NAME: 5-bromanyl-4-chloranyl-1H-pyrrolo[2,3-b]pyridine
MOLECULAR FORMULA: C7H4BrClN2
MOLECULAR WEIGHT: 231.47706
SMILES: C1=CNC2=NC=C(C(=C21)Cl)Br

CAS RN: 886365-43-1
CAS Name: 5-bromo-3-methyl-2-pyridinecarboxylic acid
OPENEYE Name: 5-bromo-3-methyl-pyridine-2-carboxylic acid
IUPAC Name: 5-bromo-3-methylpyridine-2-carboxylic acid
SYSTEMATIC NAME: 5-bromanyl-3-methyl-pyridine-2-carboxylic acid
MOLECULAR FORMULA: C7H6BrNO2
MOLECULAR WEIGHT: 216.03204
SMILES: CC1=CC(=CN=C1C(=O)O)Br

CAS RN: 929617-35-6
CAS Name: 5-bromo-1H-pyrazolo[3,4-c]pyridine
OPENEYE Name: 5-bromo-1H-pyrazolo[3,4-c]pyridine
IUPAC Name: 5-bromo-1H-pyrazolo[3,4-c]pyridine
SYSTEMATIC NAME: 5-bromanyl-1H-pyrazolo[3,4-c]pyridine
MOLECULAR FORMULA: C6H4BrN3
MOLECULAR WEIGHT: 198.02006
SMILES: C1=C2C=NNC2=CN=C1Br

CAS RN: 1171334-07-8
CAS Name: 5,6,7,8-tetrahydro-4aH-pyrido[3,4-d]pyrimidin-4-one hydrochloride
OPENEYE Name: 5,6,7,8-tetrahydro-4aH-pyrido[3,4-d]pyrimidin-4-one hydrochloride
IUPAC Name: 5,6,7,8-tetrahydro-4aH-pyrido[3,4-d]pyrimidin-4-one hydrochloride
SYSTEMATIC NAME: 5,6,7,8-tetrahydro-4aH-pyrido[3,4-d]pyrimidin-4-one hydrochloride
MOLECULAR FORMULA: C7H10ClN3O
MOLECULAR WEIGHT: 187.6268
SMILES: C1CNCC2=NC=NC(=O)C21.Cl

CAS RN: 856859-49-9
CAS Name: 4-bromo-1H-pyrazolo[3,4-b]pyridine
OPENEYE Name: 4-bromo-1H-pyrazolo[3,4-b]pyridine
IUPAC Name: 4-bromo-1H-pyrazolo[3,4-b]pyridine
SYSTEMATIC NAME: 4-bromanyl-1H-pyrazolo[3,4-b]pyridine
MOLECULAR FORMULA: C6H4BrN3
MOLECULAR WEIGHT: 198.02006
SMILES: C1=CN=C2C(=C1Br)C=NN2

CAS RN: 1072944-15-0
CAS Name: (5,6-dichloro-3-pyridinyl)boronic acid
OPENEYE Name: (5,6-dichloro-3-pyridyl)boronic acid
IUPAC Name: (5,6-dichloropyridin-3-yl)boronic acid
SYSTEMATIC NAME: [5,6-bis(chloranyl)pyridin-3-yl]boronic acid
MOLECULAR FORMULA: C5H4BCl2NO2
MOLECULAR WEIGHT: 191.80776
SMILES: B(C1=CC(=C(N=C1)Cl)Cl)(O)O

CAS RN: 947238-42-8
CAS Name: 3-bromo-4-chloro-1H-pyrrolo[3,2-c]pyridine
OPENEYE Name: 3-bromo-4-chloro-1H-pyrrolo[3,2-c]pyridine
IUPAC Name: 3-bromo-4-chloro-1H-pyrrolo[3,2-c]pyridine
SYSTEMATIC NAME: 3-bromanyl-4-chloranyl-1H-pyrrolo[3,2-c]pyridine
MOLECULAR FORMULA: C7H4BrClN2
MOLECULAR WEIGHT: 231.47706
SMILES: C1=CN=C(C2=C1NC=C2Br)Cl

CAS RN: 633328-33-3
CAS Name: 3-bromo-2H-pyrazolo[4,3-b]pyridine
OPENEYE Name: 3-bromo-2H-pyrazolo[4,3-b]pyridine
IUPAC Name: 3-bromo-2H-pyrazolo[4,3-b]pyridine
SYSTEMATIC NAME: 3-bromanyl-2H-pyrazolo[4,3-b]pyridine
MOLECULAR FORMULA: C6H4BrN3
MOLECULAR WEIGHT: 198.02006
SMILES: C1=CC2=NNC(=C2N=C1)Br

CAS RN: 1187830-61-0
CAS Name: 2,2-dioxo-3,4-dihydro-1H-2-benzothiopyran-4-amine hydrochloride
OPENEYE Name: 2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-amine hydrochloride
IUPAC Name: 2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-amine hydrochloride
SYSTEMATIC NAME: 2,2-bis(oxidanylidene)-3,4-dihydro-1H-isothiochromen-4-amine hydrochloride
MOLECULAR FORMULA: C9H12ClNO2S
MOLECULAR WEIGHT: 233.71508
SMILES: C1C(C2=CC=CC=C2CS1(=O)=O)N.Cl

CAS RN: 98134-36-2
CAS Name: 6-chloro-2-ethyl-4-pyrimidinamine
OPENEYE Name: 6-chloro-2-ethyl-pyrimidin-4-amine
IUPAC Name: 6-chloro-2-ethylpyrimidin-4-amine
SYSTEMATIC NAME: 6-chloranyl-2-ethyl-pyrimidin-4-amine
MOLECULAR FORMULA: C6H8ClN3
MOLECULAR WEIGHT: 157.60082
SMILES: CCC1=NC(=CC(=N1)Cl)N

CAS RN: 22514-58-5
CAS Name: 2-bromo-1,3-benzothiazole-6-carboxylic acid
OPENEYE Name: 2-bromo-1,3-benzothiazole-6-carboxylic acid
IUPAC Name: 2-bromo-1,3-benzothiazole-6-carboxylic acid
SYSTEMATIC NAME: 2-bromanyl-1,3-benzothiazole-6-carboxylic acid
MOLECULAR FORMULA: C8H4BrNO2S
MOLECULAR WEIGHT: 258.09186
SMILES: C1=CC2=C(C=C1C(=O)O)SC(=N2)Br

CAS RN: 140-69-2
CAS Name: (4-methoxyphenyl)methylhydrazine hydrochloride
OPENEYE Name: (4-methoxyphenyl)methylhydrazine hydrochloride
IUPAC Name: (4-methoxyphenyl)methylhydrazine hydrochloride
SYSTEMATIC NAME: (4-methoxyphenyl)methyldiazane hydrochloride
MOLECULAR FORMULA: C8H13ClN2O
MOLECULAR WEIGHT: 188.65462
SMILES: COC1=CC=C(C=C1)CNN.Cl

CAS RN: 167762-80-3
CAS Name: 4-(2-aminoethyl)benzonitrile hydrochloride
OPENEYE Name: 4-(2-aminoethyl)benzonitrile hydrochloride
IUPAC Name: 4-(2-aminoethyl)benzonitrile hydrochloride
SYSTEMATIC NAME: 4-(2-azanylethyl)benzenecarbonitrile hydrochloride
MOLECULAR FORMULA: C9H11ClN2
MOLECULAR WEIGHT: 182.65004
SMILES: C1=CC(=CC=C1CCN)C#N.Cl

CAS RN: 959236-97-6
CAS Name: 4-bromo-2-(methylthio)pyrimidine
OPENEYE Name: 4-bromo-2-methylsulfanyl-pyrimidine
IUPAC Name: 4-bromo-2-methylsulfanylpyrimidine
SYSTEMATIC NAME: 4-bromanyl-2-methylsulfanyl-pyrimidine
MOLECULAR FORMULA: C5H5BrN2S
MOLECULAR WEIGHT: 205.0756
SMILES: CSC1=NC=CC(=N1)Br

CAS RN: 1060811-33-7
CAS Name: 6-bromo-N-cyclopropyl-2-pyridinamine
OPENEYE Name: 6-bromo-N-cyclopropyl-pyridin-2-amine
IUPAC Name: 6-bromo-N-cyclopropylpyridin-2-amine
SYSTEMATIC NAME: 6-bromanyl-N-cyclopropyl-pyridin-2-amine
MOLECULAR FORMULA: C8H9BrN2
MOLECULAR WEIGHT: 213.07446
SMILES: C1CC1NC2=NC(=CC=C2)Br

CAS RN: 89089-18-9
CAS Name: 3-bromo-6-chloropyridazine
OPENEYE Name: 3-bromo-6-chloro-pyridazine
IUPAC Name: 3-bromo-6-chloropyridazine
SYSTEMATIC NAME: 3-bromanyl-6-chloranyl-pyridazine
MOLECULAR FORMULA: C4H2BrClN2
MOLECULAR WEIGHT: 193.42908
SMILES: C1=CC(=NN=C1Cl)Br

CAS RN: 893567-09-4
CAS Name: 2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
OPENEYE Name: 2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Name: 2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SYSTEMATIC NAME: 2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
MOLECULAR FORMULA: C14H20BNO2
MOLECULAR WEIGHT: 245.1251
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)C3CC3

CAS RN: 342611-02-3
CAS Name: 2,2,3,3,5,5,6,6-octadeuteriomorpholine
OPENEYE Name: 2,2,3,3,5,5,6,6-octadeuteriomorpholine
IUPAC Name: 2,2,3,3,5,5,6,6-octadeuteriomorpholine
SYSTEMATIC NAME: 2,2,3,3,5,5,6,6-octadeuteriomorpholine
MOLECULAR FORMULA: C4H9NO
MOLECULAR WEIGHT: 95.169654
SMILES: [2H]C1(C(OC(C(N1)([2H])[2H])([2H])[2H])([2H])[2H])[2H]

CAS RN: 873107-98-3
CAS Name: 5-iodo-2-(trifluoromethyl)pyridine
OPENEYE Name: 5-iodo-2-(trifluoromethyl)pyridine
IUPAC Name: 5-iodo-2-(trifluoromethyl)pyridine
SYSTEMATIC NAME: 5-iodanyl-2-(trifluoromethyl)pyridine
MOLECULAR FORMULA: C6H3F3IN
MOLECULAR WEIGHT: 272.9944
SMILES: C1=CC(=NC=C1I)C(F)(F)F

CAS RN: 1035173-53-5
CAS Name: [6-(trifluoromethyl)-3-pyridinyl]hydrazine
OPENEYE Name: [6-(trifluoromethyl)-3-pyridyl]hydrazine
IUPAC Name: [6-(trifluoromethyl)pyridin-3-yl]hydrazine
SYSTEMATIC NAME: [6-(trifluoromethyl)pyridin-3-yl]diazane
MOLECULAR FORMULA: C6H6F3N3
MOLECULAR WEIGHT: 177.12715
SMILES: C1=CC(=NC=C1NN)C(F)(F)F

CAS RN: 915922-03-1
CAS Name: 2-(2-methoxyphenyl)ethanimidamide hydrochloride
OPENEYE Name: 2-(2-methoxyphenyl)acetamidine hydrochloride
IUPAC Name: 2-(2-methoxyphenyl)ethanimidamide hydrochloride
SYSTEMATIC NAME: 2-(2-methoxyphenyl)ethanimidamide hydrochloride
MOLECULAR FORMULA: C9H13ClN2O
MOLECULAR WEIGHT: 200.66532
SMILES: COC1=CC=CC=C1CC(=N)N.Cl

CAS RN: 854067-25-7
CAS Name: 1,3-benzothiazol-5-amine hydrochloride
OPENEYE Name: 1,3-benzothiazol-5-amine hydrochloride
IUPAC Name: 1,3-benzothiazol-5-amine hydrochloride
SYSTEMATIC NAME: 1,3-benzothiazol-5-amine hydrochloride
MOLECULAR FORMULA: C7H7ClN2S
MOLECULAR WEIGHT: 186.66188
SMILES: C1=CC2=C(C=C1N)N=CS2.Cl

CAS RN: 874832-10-7
CAS Name: 3-isocyanato-2-methyl-6-(trifluoromethyl)pyridine
OPENEYE Name: 3-isocyanato-2-methyl-6-(trifluoromethyl)pyridine
IUPAC Name: 3-isocyanato-2-methyl-6-(trifluoromethyl)pyridine
SYSTEMATIC NAME: 3-isocyanato-2-methyl-6-(trifluoromethyl)pyridine
MOLECULAR FORMULA: C8H5F3N2O
MOLECULAR WEIGHT: 202.13331
SMILES: CC1=C(C=CC(=N1)C(F)(F)F)N=C=O

CAS RN: 959996-58-8
CAS Name: 6-(trifluoromethyl)-3-pyridinesulfonyl chloride
OPENEYE Name: 6-(trifluoromethyl)pyridine-3-sulfonyl chloride
IUPAC Name: 6-(trifluoromethyl)pyridine-3-sulfonyl chloride
SYSTEMATIC NAME: 6-(trifluoromethyl)pyridine-3-sulfonyl chloride
MOLECULAR FORMULA: C6H3ClF3NO2S
MOLECULAR WEIGHT: 245.60673
SMILES: C1=CC(=NC=C1S(=O)(=O)Cl)C(F)(F)F

CAS RN: 944268-56-8
CAS Name: 1-bromo-3-methyl-2-(trifluoromethyl)benzene
OPENEYE Name: 1-bromo-3-methyl-2-(trifluoromethyl)benzene
IUPAC Name: 1-bromo-3-methyl-2-(trifluoromethyl)benzene
SYSTEMATIC NAME: 1-bromanyl-3-methyl-2-(trifluoromethyl)benzene
MOLECULAR FORMULA: C8H6BrF3
MOLECULAR WEIGHT: 239.03245
SMILES: CC1=C(C(=CC=C1)Br)C(F)(F)F

CAS RN: 1138011-20-7
CAS Name: 3-fluoro-2-methoxy-5-(trifluoromethyl)pyridine
OPENEYE Name: 3-fluoro-2-methoxy-5-(trifluoromethyl)pyridine
IUPAC Name: 3-fluoro-2-methoxy-5-(trifluoromethyl)pyridine
SYSTEMATIC NAME: 3-fluoranyl-2-methoxy-5-(trifluoromethyl)pyridine
MOLECULAR FORMULA: C7H5F4NO
MOLECULAR WEIGHT: 195.114313
SMILES: COC1=C(C=C(C=N1)C(F)(F)F)F

CAS RN: 857653-85-1
CAS Name: (Z)-(2-chloro-1H-pyridin-4-ylidene)-nitrosomethanamine
OPENEYE Name: (Z)-(2-chloro-1H-pyridin-4-ylidene)-nitroso-methanamine
IUPAC Name: (Z)-(2-chloro-1H-pyridin-4-ylidene)-nitrosomethanamine
SYSTEMATIC NAME: (Z)-(2-chloranyl-1H-pyridin-4-ylidene)-nitroso-methanamine
MOLECULAR FORMULA: C6H6ClN3O
MOLECULAR WEIGHT: 171.58434
SMILES: C\1=CNC(=C/C1=C(/N)\N=O)Cl

CAS RN: 1186194-98-8
CAS Name: 2,4-dichloro-3-(trifluoromethyl)pyridine
OPENEYE Name: 2,4-dichloro-3-(trifluoromethyl)pyridine
IUPAC Name: 2,4-dichloro-3-(trifluoromethyl)pyridine
SYSTEMATIC NAME: 2,4-bis(chloranyl)-3-(trifluoromethyl)pyridine
MOLECULAR FORMULA: C6H2Cl2F3N
MOLECULAR WEIGHT: 215.98799
SMILES: C1=CN=C(C(=C1Cl)C(F)(F)F)Cl

CAS RN: 62811-98-7
CAS Name: 4-chloro-2-(chloromethyl)-5-phenylmethoxypyridine
OPENEYE Name: 5-benzyloxy-4-chloro-2-(chloromethyl)pyridine
IUPAC Name: 4-chloro-2-(chloromethyl)-5-phenylmethoxypyridine
SYSTEMATIC NAME: 4-chloranyl-2-(chloromethyl)-5-phenylmethoxy-pyridine
MOLECULAR FORMULA: C13H11Cl2NO
MOLECULAR WEIGHT: 268.13854
SMILES: C1=CC=C(C=C1)COC2=CN=C(C=C2Cl)CCl

CAS RN: 1130344-76-1
CAS Name: 2,6-dichloro-4-(trifluoromethyl)-3-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxylate
IUPAC Name: methyl 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxylate
SYSTEMATIC NAME: methyl 2,6-bis(chloranyl)-4-(trifluoromethyl)pyridine-3-carboxylate
MOLECULAR FORMULA: C8H4Cl2F3NO2
MOLECULAR WEIGHT: 274.02407
SMILES: COC(=O)C1=C(N=C(C=C1C(F)(F)F)Cl)Cl

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