2-amino-6-(2,5-dichlorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile

C19H10Cl2F3N3O — CID 3546303

IUPAC2-amino-6-(2,5-dichlorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(OC(F)(F)F)cc2)cc(-c2cc(Cl)ccc2Cl)nc1N
InChIInChI=1S/C19H10Cl2F3N3O/c20-11-3-6-16(21)14(7-11)17-8-13(15(9-25)18(26)27-17)10-1-4-12(5-2-10)28-19(22,23)24/h1-8H,(H2,26,27)
InChIKeyJCSVZQLKVNQYPT-UHFFFAOYSA-N
MW424.21 g/mol
LogP6.07
Rot. Bonds3

About 2-amino-6-(2,5-dichlorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile

2-amino-6-(2,5-dichlorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile (PubChem CID 3546303) has the molecular formula C19H10Cl2F3N3O and a molecular weight of 424.21 g/mol. Its IUPAC name is 2-amino-6-(2,5-dichlorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2,5-dichlorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
PubChem CID3546303
Molecular FormulaC19H10Cl2F3N3O
Molecular Weight424.21 g/mol
Exact Mass423.02
IUPAC Name2-amino-6-(2,5-dichlorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(OC(F)(F)F)cc2)cc(-c2cc(Cl)ccc2Cl)nc1N
InChIInChI=1S/C19H10Cl2F3N3O/c20-11-3-6-16(21)14(7-11)17-8-13(15(9-25)18(26)27-17)10-1-4-12(5-2-10)28-19(22,23)24/h1-8H,(H2,26,27)
InChIKeyJCSVZQLKVNQYPT-UHFFFAOYSA-N
XLogP6.07
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.21
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-(4-fluorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 3362049
2-amino-4-(2,4-dichlorophenyl)-6-(2,5-dichlorophenyl)pyridine-3-carbonitrile
CID 3543957
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 3337530
2-amino-4-(2,3-dichlorophenyl)-6-(2,5-dichlorophenyl)pyridine-3-carbonitrile
CID 3543956
2-amino-6-(3,4-dichlorophenyl)-4-(3,4-difluorophenyl)pyridine-3-carbonitrile
CID 3529546
2-amino-5,6-dimethyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 4633998
2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
CID 119008449
2-amino-6-(3,4-dichlorophenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile
CID 3523944
1,2,5-trichloro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119016233
2-amino-4-(4-chloro-3-fluorophenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 4636733
2-amino-4-(4-chloro-3-fluorophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230669
2-amino-4-(4-chlorophenyl)-6-thiophen-3-ylpyridine-3-carbonitrile
CID 44817568

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,5-dichlorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2,5-dichlorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile (CID 3546303) is 2-amino-6-(2,5-dichlorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2,5-dichlorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2,5-dichlorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile is N#Cc1c(-c2ccc(OC(F)(F)F)cc2)cc(-c2cc(Cl)ccc2Cl)nc1N.
What is the InChIKey of 2-amino-6-(2,5-dichlorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
The InChIKey is JCSVZQLKVNQYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2F3N3O/c20-11-3-6-16(21)14(7-11)17-8-13(15(9-25)18(26)27-17)10-1-4-12(5-2-10)28-19(22,23)24/h1-8H,(H2,26,27).
What are the key properties of 2-amino-6-(2,5-dichlorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
2-amino-6-(2,5-dichlorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile has a molecular weight of 424.21 g/mol, XLogP of 6.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,5-dichlorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 3546303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).