2-amino-4-(5-bromo-2-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile

C19H12BrClFN3 — CID 3326018

IUPAC2-amino-4-(5-bromo-2-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile
SMILESCc1c(-c2cccc(Cl)c2)nc(N)c(C#N)c1-c1cc(Br)ccc1F
InChIInChI=1S/C19H12BrClFN3/c1-10-17(14-8-12(20)5-6-16(14)22)15(9-23)19(24)25-18(10)11-3-2-4-13(21)7-11/h2-8H,1H3,(H2,24,25)
InChIKeyIXMFISWDBDWTKA-UHFFFAOYSA-N
MW416.68 g/mol
LogP5.73
Rot. Bonds2

About 2-amino-4-(5-bromo-2-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile

2-amino-4-(5-bromo-2-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile (PubChem CID 3326018) has the molecular formula C19H12BrClFN3 and a molecular weight of 416.68 g/mol. Its IUPAC name is 2-amino-4-(5-bromo-2-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-bromo-2-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile
PubChem CID3326018
Molecular FormulaC19H12BrClFN3
Molecular Weight416.68 g/mol
Exact Mass414.99
IUPAC Name2-amino-4-(5-bromo-2-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile
SMILESCc1c(-c2cccc(Cl)c2)nc(N)c(C#N)c1-c1cc(Br)ccc1F
InChIInChI=1S/C19H12BrClFN3/c1-10-17(14-8-12(20)5-6-16(14)22)15(9-23)19(24)25-18(10)11-3-2-4-13(21)7-11/h2-8H,1H3,(H2,24,25)
InChIKeyIXMFISWDBDWTKA-UHFFFAOYSA-N
XLogP5.73
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.68
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-4-(5-bromo-2-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-(3-bromo-4-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3326017
2-amino-6-(3-chlorophenyl)-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile
CID 3324150
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-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methylpyridine-3-carbonitrile
CID 3326015
2-amino-6-(4-chlorophenyl)-4-(2,5-difluorophenyl)-5-methylpyridine-3-carbonitrile
CID 3317750
2-amino-6-(3-chlorophenyl)-4-(2-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322467
2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile
CID 3346636
2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(4-chlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3317609
2-amino-6-(3-chlorophenyl)-4-(3-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322466
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-bromo-2-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-bromo-2-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile (CID 3326018) is 2-amino-4-(5-bromo-2-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-bromo-2-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-bromo-2-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile is Cc1c(-c2cccc(Cl)c2)nc(N)c(C#N)c1-c1cc(Br)ccc1F.
What is the InChIKey of 2-amino-4-(5-bromo-2-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile?
The InChIKey is IXMFISWDBDWTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrClFN3/c1-10-17(14-8-12(20)5-6-16(14)22)15(9-23)19(24)25-18(10)11-3-2-4-13(21)7-11/h2-8H,1H3,(H2,24,25).
What are the key properties of 2-amino-4-(5-bromo-2-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile?
2-amino-4-(5-bromo-2-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile has a molecular weight of 416.68 g/mol, XLogP of 5.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-bromo-2-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 3326018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).