6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-3-nitropyridine;4-methylaniline;2-methyl-1H-benzimidazole;6-(2-methylbenzimidazol-1-yl)-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine

C72H56Cl3F9N18O6 — CID 158127674

IUPAC6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-3-nitropyridine;4-methylaniline;2-methyl-1H-benzimidazole;6-(2-methylbenzimidazol-1-yl)-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine
SMILESCc1ccc(N)cc1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2n1-c1ccc(N)c(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1ccc([N+](=O)[O-])c(Nc2ccc(C(F)(F)F)cc2)n1.O=[N+]([O-])c1ccc(Cl)nc1Cl.O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H14F3N5O2.C20H16F3N5.C12H7ClF3N3O2.C8H8N2.C7H9N.C5H2Cl2N2O2/c1-12-24-15-4-2-3-5-16(15)27(12)18-11-10-17(28(29)30)19(26-18)25-14-8-6-13(7-9-14)20(21,22)23;1-12-25-16-4-2-3-5-17(16)28(12)18-11-10-15(24)19(27-18)26-14-8-6-13(7-9-14)20(21,22)23;13-10-6-5-9(19(20)21)11(18-10)17-8-3-1-7(2-4-8)12(14,15)16;1-6-9-7-4-2-3-5-8(7)10-6;1-6-2-4-7(8)5-3-6;6-4-2-1-3(9(10)11)5(7)8-4/h2-11H,1H3,(H,25,26);2-11H,24H2,1H3,(H,26,27);1-6H,(H,17,18);2-5H,1H3,(H,9,10);2-5H,8H2,1H3;1-2H
InChIKeyFSJQFTMRJRTFRT-UHFFFAOYSA-N
MW1546.70 g/mol
LogP20.62
Rot. Bonds11

About 6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-3-nitropyridine;4-methylaniline;2-methyl-1H-benzimidazole;6-(2-methylbenzimidazol-1-yl)-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine

6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-3-nitropyridine;4-methylaniline;2-methyl-1H-benzimidazole;6-(2-methylbenzimidazol-1-yl)-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine (PubChem CID 158127674) has the molecular formula C72H56Cl3F9N18O6 and a molecular weight of 1546.70 g/mol. Its IUPAC name is 6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-3-nitropyridine;4-methylaniline;2-methyl-1H-benzimidazole;6-(2-methylbenzimidazol-1-yl)-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-3-nitropyridine;4-methylaniline;2-methyl-1H-benzimidazole;6-(2-methylbenzimidazol-1-yl)-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine
PubChem CID158127674
Molecular FormulaC72H56Cl3F9N18O6
Molecular Weight1546.70 g/mol
Exact Mass1544.36
IUPAC Name6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-3-nitropyridine;4-methylaniline;2-methyl-1H-benzimidazole;6-(2-methylbenzimidazol-1-yl)-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine
SMILESCc1ccc(N)cc1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2n1-c1ccc(N)c(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1ccc([N+](=O)[O-])c(Nc2ccc(C(F)(F)F)cc2)n1.O=[N+]([O-])c1ccc(Cl)nc1Cl.O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H14F3N5O2.C20H16F3N5.C12H7ClF3N3O2.C8H8N2.C7H9N.C5H2Cl2N2O2/c1-12-24-15-4-2-3-5-16(15)27(12)18-11-10-17(28(29)30)19(26-18)25-14-8-6-13(7-9-14)20(21,22)23;1-12-25-16-4-2-3-5-17(16)28(12)18-11-10-15(24)19(27-18)26-14-8-6-13(7-9-14)20(21,22)23;13-10-6-5-9(19(20)21)11(18-10)17-8-3-1-7(2-4-8)12(14,15)16;1-6-9-7-4-2-3-5-8(7)10-6;1-6-2-4-7(8)5-3-6;6-4-2-1-3(9(10)11)5(7)8-4/h2-11H,1H3,(H,25,26);2-11H,24H2,1H3,(H,26,27);1-6H,(H,17,18);2-5H,1H3,(H,9,10);2-5H,8H2,1H3;1-2H
InChIKeyFSJQFTMRJRTFRT-UHFFFAOYSA-N
XLogP20.62
TPSA333.43 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001546.70
LogP ≤ 520.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-4-nitro-1H-benzimidazole;6-(2-methyl-4-nitrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-4-amine;3-nitrobenzene-1,2-diamine
CID 157471161
6-(5-chloro-2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157713771
4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 158232653
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-(3-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-1H-pyrimidine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-nitrophenyl)pyrimidine-2,4-diamine
CID 158347025
bis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;methane
CID 159252808
5-N,6-N-bis(2-iodophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;bis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;methane
CID 159326924
5-N,6-N-bis(2-iodophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;bis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 160576215
2-(3-chloro-2-nitrophenyl)-4-methyl-1H-benzimidazole;2-(3-chloro-2-nitrophenyl)-4-methyl-1-prop-2-enylbenzimidazole;2-(3-chloro-2-nitrophenyl)-7-methyl-1-prop-2-enylbenzimidazole
CID 160707799
4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-c]pyridine;2-chloropyridine-3,4-diamine;4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]aniline
CID 160943669
5-N,6-N-bis(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-chlorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 161660957

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-3-nitropyridine;4-methylaniline;2-methyl-1H-benzimidazole;6-(2-methylbenzimidazol-1-yl)-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine?
The IUPAC name of 6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-3-nitropyridine;4-methylaniline;2-methyl-1H-benzimidazole;6-(2-methylbenzimidazol-1-yl)-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine (CID 158127674) is 6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-3-nitropyridine;4-methylaniline;2-methyl-1H-benzimidazole;6-(2-methylbenzimidazol-1-yl)-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-3-nitropyridine;4-methylaniline;2-methyl-1H-benzimidazole;6-(2-methylbenzimidazol-1-yl)-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-3-nitropyridine;4-methylaniline;2-methyl-1H-benzimidazole;6-(2-methylbenzimidazol-1-yl)-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine is Cc1ccc(N)cc1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2n1-c1ccc(N)c(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1ccc([N+](=O)[O-])c(Nc2ccc(C(F)(F)F)cc2)n1.O=[N+]([O-])c1ccc(Cl)nc1Cl.O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-3-nitropyridine;4-methylaniline;2-methyl-1H-benzimidazole;6-(2-methylbenzimidazol-1-yl)-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine?
The InChIKey is FSJQFTMRJRTFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O2.C20H16F3N5.C12H7ClF3N3O2.C8H8N2.C7H9N.C5H2Cl2N2O2/c1-12-24-15-4-2-3-5-16(15)27(12)18-11-10-17(28(29)30)19(26-18)25-14-8-6-13(7-9-14)20(21,22)23;1-12-25-16-4-2-3-5-17(16)28(12)18-11-10-15(24)19(27-18)26-14-8-6-13(7-9-14)20(21,22)23;13-10-6-5-9(19(20)21)11(18-10)17-8-3-1-7(2-4-8)12(14,15)16;1-6-9-7-4-2-3-5-8(7)10-6;1-6-2-4-7(8)5-3-6;6-4-2-1-3(9(10)11)5(7)8-4/h2-11H,1H3,(H,25,26);2-11H,24H2,1H3,(H,26,27);1-6H,(H,17,18);2-5H,1H3,(H,9,10);2-5H,8H2,1H3;1-2H.
What are the key properties of 6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-3-nitropyridine;4-methylaniline;2-methyl-1H-benzimidazole;6-(2-methylbenzimidazol-1-yl)-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine?
6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-3-nitropyridine;4-methylaniline;2-methyl-1H-benzimidazole;6-(2-methylbenzimidazol-1-yl)-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine has a molecular weight of 1546.70 g/mol, XLogP of 20.62, 11 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-3-nitropyridine;4-methylaniline;2-methyl-1H-benzimidazole;6-(2-methylbenzimidazol-1-yl)-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine is sourced from PubChem (CID 158127674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).