2-amino-4-(2,3-dichlorophenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile

C19H12Cl2FN3 — CID 5166897

IUPAC2-amino-4-(2,3-dichlorophenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile
SMILESCc1c(-c2ccc(F)cc2)nc(N)c(C#N)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C19H12Cl2FN3/c1-10-16(13-3-2-4-15(20)17(13)21)14(9-23)19(24)25-18(10)11-5-7-12(22)8-6-11/h2-8H,1H3,(H2,24,25)
InChIKeyHCBKEDZHJWCGKE-UHFFFAOYSA-N
MW372.23 g/mol
LogP5.62
Rot. Bonds2

About 2-amino-4-(2,3-dichlorophenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile

2-amino-4-(2,3-dichlorophenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile (PubChem CID 5166897) has the molecular formula C19H12Cl2FN3 and a molecular weight of 372.23 g/mol. Its IUPAC name is 2-amino-4-(2,3-dichlorophenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,3-dichlorophenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile
PubChem CID5166897
Molecular FormulaC19H12Cl2FN3
Molecular Weight372.23 g/mol
Exact Mass371.04
IUPAC Name2-amino-4-(2,3-dichlorophenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile
SMILESCc1c(-c2ccc(F)cc2)nc(N)c(C#N)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C19H12Cl2FN3/c1-10-16(13-3-2-4-15(20)17(13)21)14(9-23)19(24)25-18(10)11-5-7-12(22)8-6-11/h2-8H,1H3,(H2,24,25)
InChIKeyHCBKEDZHJWCGKE-UHFFFAOYSA-N
XLogP5.62
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.23
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-6-(4-fluorophenyl)-5-methyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 5157022
2-amino-6-(4-chlorophenyl)-4-(2,5-difluorophenyl)-5-methylpyridine-3-carbonitrile
CID 3317750
2-amino-6-(4-fluorophenyl)-5-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 5159717
2-amino-4-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile
CID 5159861
2-amino-4-(2-fluorophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 5172789
2-amino-6-(4-chlorophenyl)-5-methyl-4-(2-methylphenyl)pyridine-3-carbonitrile
CID 3313312
2-amino-4-(4-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 932580
2-amino-6-(3-chlorophenyl)-4-(2,6-dichlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3328152
2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 3324008
2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile
CID 3346636
2-amino-6-(3-chlorophenyl)-4-(2-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322467
2-amino-6-(3-chlorophenyl)-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile
CID 3324150

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,3-dichlorophenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2,3-dichlorophenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile (CID 5166897) is 2-amino-4-(2,3-dichlorophenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2,3-dichlorophenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2,3-dichlorophenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile is Cc1c(-c2ccc(F)cc2)nc(N)c(C#N)c1-c1cccc(Cl)c1Cl.
What is the InChIKey of 2-amino-4-(2,3-dichlorophenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile?
The InChIKey is HCBKEDZHJWCGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2FN3/c1-10-16(13-3-2-4-15(20)17(13)21)14(9-23)19(24)25-18(10)11-5-7-12(22)8-6-11/h2-8H,1H3,(H2,24,25).
What are the key properties of 2-amino-4-(2,3-dichlorophenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile?
2-amino-4-(2,3-dichlorophenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile has a molecular weight of 372.23 g/mol, XLogP of 5.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,3-dichlorophenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 5166897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).