4-amino-6-chloro-3-nitropyridine-2-carbonitrile;4-amino-3-nitro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;3,4-diamino-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;1-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile;6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile

C62H37ClF12N20O4 — CID 161066404

IUPAC4-amino-6-chloro-3-nitropyridine-2-carbonitrile;4-amino-3-nitro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;3,4-diamino-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;1-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile;6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile
SMILESCCn1cnc2c(C#N)nc(-c3cccc(C(F)(F)F)c3)cc21.N#Cc1nc(-c2cccc(C(F)(F)F)c2)cc(N)c1N.N#Cc1nc(-c2cccc(C(F)(F)F)c2)cc(N)c1[N+](=O)[O-].N#Cc1nc(-c2cccc(C(F)(F)F)c2)cc2[nH]cnc12.N#Cc1nc(Cl)cc(N)c1[N+](=O)[O-]
InChIInChI=1S/C16H11F3N4.C14H7F3N4.C13H7F3N4O2.C13H9F3N4.C6H3ClN4O2/c1-2-23-9-21-15-13(8-20)22-12(7-14(15)23)10-4-3-5-11(6-10)16(17,18)19;15-14(16,17)9-3-1-2-8(4-9)10-5-11-13(20-7-19-11)12(6-18)21-10;14-13(15,16)8-3-1-2-7(4-8)10-5-9(18)12(20(21)22)11(6-17)19-10;14-13(15,16)8-3-1-2-7(4-8)10-5-9(18)12(19)11(6-17)20-10;7-5-1-3(9)6(11(12)13)4(2-8)10-5/h3-7,9H,2H2,1H3;1-5,7H,(H,19,20);1-5H,(H2,18,19);1-5H,19H2,(H2,18,20);1H,(H2,9,10)
InChIKeyUEBQWBAJQUSRSF-UHFFFAOYSA-N
MW1389.54 g/mol
LogP14.55
Rot. Bonds7

About 4-amino-6-chloro-3-nitropyridine-2-carbonitrile;4-amino-3-nitro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;3,4-diamino-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;1-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile;6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile

4-amino-6-chloro-3-nitropyridine-2-carbonitrile;4-amino-3-nitro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;3,4-diamino-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;1-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile;6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 161066404) has the molecular formula C62H37ClF12N20O4 and a molecular weight of 1389.54 g/mol. Its IUPAC name is 4-amino-6-chloro-3-nitropyridine-2-carbonitrile;4-amino-3-nitro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;3,4-diamino-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;1-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile;6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name4-amino-6-chloro-3-nitropyridine-2-carbonitrile;4-amino-3-nitro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;3,4-diamino-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;1-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile;6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile
PubChem CID161066404
Molecular FormulaC62H37ClF12N20O4
Molecular Weight1389.54 g/mol
Exact Mass1388.28
IUPAC Name4-amino-6-chloro-3-nitropyridine-2-carbonitrile;4-amino-3-nitro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;3,4-diamino-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;1-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile;6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile
SMILESCCn1cnc2c(C#N)nc(-c3cccc(C(F)(F)F)c3)cc21.N#Cc1nc(-c2cccc(C(F)(F)F)c2)cc(N)c1N.N#Cc1nc(-c2cccc(C(F)(F)F)c2)cc(N)c1[N+](=O)[O-].N#Cc1nc(-c2cccc(C(F)(F)F)c2)cc2[nH]cnc12.N#Cc1nc(Cl)cc(N)c1[N+](=O)[O-]
InChIInChI=1S/C16H11F3N4.C14H7F3N4.C13H7F3N4O2.C13H9F3N4.C6H3ClN4O2/c1-2-23-9-21-15-13(8-20)22-12(7-14(15)23)10-4-3-5-11(6-10)16(17,18)19;15-14(16,17)9-3-1-2-8(4-9)10-5-11-13(20-7-19-11)12(6-18)21-10;14-13(15,16)8-3-1-2-7(4-8)10-5-9(18)12(20(21)22)11(6-17)19-10;14-13(15,16)8-3-1-2-7(4-8)10-5-9(18)12(19)11(6-17)20-10;7-5-1-3(9)6(11(12)13)4(2-8)10-5/h3-7,9H,2H2,1H3;1-5,7H,(H,19,20);1-5H,(H2,18,19);1-5H,19H2,(H2,18,20);1H,(H2,9,10)
InChIKeyUEBQWBAJQUSRSF-UHFFFAOYSA-N
XLogP14.55
TPSA420.26 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds7
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001389.54
LogP ≤ 514.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-6-chloro-3-nitropyridine-2-carbonitrile;4-amino-3-nitro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;3,4-diamino-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;1-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile;6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile with MolForge

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Related Compounds

N-[2-[[4-(2-chloro-4-fluorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-[[4-(2-chloro-4-fluorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-[2-[(5-nitro-2-pyridinyl)amino]ethyl]amino]amino]ethyl]-5-nitropyridin-2-amine
CID 87779296
3-(6-chloro-4-nitro-2-pyridinyl)-6-fluoro-2-methylimidazo[1,2-a]pyridine;2,6-dichloro-4-nitropyridine;6-fluoro-2,3-dimethylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;4-methylaniline
CID 158781042
1-benzyl-2-butyl-5-hydroxyimidazo[4,5-c]pyridin-5-ium;1-benzyl-2-butylimidazo[4,5-c]pyridin-4-amine;1-benzyl-2-butylimidazo[4,5-c]pyridine;N-benzyl-3-nitropyridin-4-amine;4-N-benzylpyridine-3,4-diamine;4-chloro-3-nitropyridine
CID 157383557
2-(4-aminocyclohexyl)acetonitrile;2-[4-[[5-amino-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]acetonitrile;3-(4-chloro-5-nitrosopyrimidin-2-yl)-6-fluoro-1H-imidazo[1,2-a]pyridin-4-ium;2-[4-[[2-(6-fluoro-1H-imidazo[1,2-a]pyridin-4-ium-3-yl)-5-nitrosopyrimidin-4-yl]amino]cyclohexyl]acetonitrile;dihydroxide
CID 157443874
N'-[4-[4-(1H-benzimidazol-2-yl)phenyl]pyrimidin-2-yl]-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine;4-[5-(1H-imidazol-2-yl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]pyrimidin-4-yl]benzonitrile
CID 157862293
1-Aminocyclohexane-1-carbonitrile;1-[[5-amino-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexane-1-carbonitrile;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;1-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]amino]cyclohexane-1-carbonitrile
CID 157943383
1-benzyl-2-butyl-4-chloroimidazo[4,5-c]pyridine;N-benzyl-2-chloro-3-nitropyridin-4-amine;N-benzyl-2-chloro-5-nitropyridin-4-amine;4-N-benzyl-2-chloropyridine-3,4-diamine;4-N-benzyl-6-chloropyridine-3,4-diamine;2-chloro-3-nitropyridin-4-amine;2-chloro-5-nitropyridin-4-amine;2-chloropyridin-4-amine
CID 157969614
N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-amine;6-[3-[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]propylamino]pyridine-3-carbonitrile
CID 158281162
cis-(1S,3R)-1-N-[(5-amino-2-pyridinyl)methyl]-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-methylcyclohexane-1,3-diamine;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-methyl-1-N-[(5-nitro-2-pyridinyl)methyl]cyclohexane-1,3-diamine;methane
CID 158821975
cis-(1S,3R)-1-N-[(5-amino-2-pyridinyl)methyl]-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-methylcyclohexane-1,3-diamine;cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-methyl-1-N-[(5-nitro-2-pyridinyl)methyl]cyclohexane-1,3-diamine;methane
CID 159272578
2-N,4-N-bis[2-(dimethylamino)ethyl]-2-N-methyl-3-nitroquinoline-2,4-diamine;2-N,4-N-bis[2-(dimethylamino)ethyl]-2-N-methylquinoline-2,3,4-triamine;N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;N'-[1-[2-(dimethylamino)ethyl]imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;N,N-dimethylbutan-1-amine;N',N'-dimethylethane-1,2-diamine
CID 159593942
cis-(1S,3R)-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-1-N-methyl-1-N-[(5-nitro-2-pyridinyl)methyl]cyclohexane-1,3-diamine;cis-(1R,3S)-1-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-3-N-[(5-nitro-2-pyridinyl)methyl]cyclohexane-1,3-diamine;methanol
CID 159597709

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloro-3-nitropyridine-2-carbonitrile;4-amino-3-nitro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;3,4-diamino-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;1-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile;6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 4-amino-6-chloro-3-nitropyridine-2-carbonitrile;4-amino-3-nitro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;3,4-diamino-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;1-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile;6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile (CID 161066404) is 4-amino-6-chloro-3-nitropyridine-2-carbonitrile;4-amino-3-nitro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;3,4-diamino-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;1-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile;6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile.
What is the SMILES notation for 4-amino-6-chloro-3-nitropyridine-2-carbonitrile;4-amino-3-nitro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;3,4-diamino-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;1-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile;6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 4-amino-6-chloro-3-nitropyridine-2-carbonitrile;4-amino-3-nitro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;3,4-diamino-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;1-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile;6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile is CCn1cnc2c(C#N)nc(-c3cccc(C(F)(F)F)c3)cc21.N#Cc1nc(-c2cccc(C(F)(F)F)c2)cc(N)c1N.N#Cc1nc(-c2cccc(C(F)(F)F)c2)cc(N)c1[N+](=O)[O-].N#Cc1nc(-c2cccc(C(F)(F)F)c2)cc2[nH]cnc12.N#Cc1nc(Cl)cc(N)c1[N+](=O)[O-].
What is the InChIKey of 4-amino-6-chloro-3-nitropyridine-2-carbonitrile;4-amino-3-nitro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;3,4-diamino-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;1-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile;6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is UEBQWBAJQUSRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4.C14H7F3N4.C13H7F3N4O2.C13H9F3N4.C6H3ClN4O2/c1-2-23-9-21-15-13(8-20)22-12(7-14(15)23)10-4-3-5-11(6-10)16(17,18)19;15-14(16,17)9-3-1-2-8(4-9)10-5-11-13(20-7-19-11)12(6-18)21-10;14-13(15,16)8-3-1-2-7(4-8)10-5-9(18)12(20(21)22)11(6-17)19-10;14-13(15,16)8-3-1-2-7(4-8)10-5-9(18)12(19)11(6-17)20-10;7-5-1-3(9)6(11(12)13)4(2-8)10-5/h3-7,9H,2H2,1H3;1-5,7H,(H,19,20);1-5H,(H2,18,19);1-5H,19H2,(H2,18,20);1H,(H2,9,10).
What are the key properties of 4-amino-6-chloro-3-nitropyridine-2-carbonitrile;4-amino-3-nitro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;3,4-diamino-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;1-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile;6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
4-amino-6-chloro-3-nitropyridine-2-carbonitrile;4-amino-3-nitro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;3,4-diamino-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;1-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile;6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 1389.54 g/mol, XLogP of 14.55, 7 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloro-3-nitropyridine-2-carbonitrile;4-amino-3-nitro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;3,4-diamino-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;1-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile;6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 161066404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).