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

C19H12BrClFN3 — CID 3326017

IUPAC2-amino-4-(3-bromo-4-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile
SMILESCc1c(-c2cccc(Cl)c2)nc(N)c(C#N)c1-c1ccc(F)c(Br)c1
InChIInChI=1S/C19H12BrClFN3/c1-10-17(11-5-6-16(22)15(20)8-11)14(9-23)19(24)25-18(10)12-3-2-4-13(21)7-12/h2-8H,1H3,(H2,24,25)
InChIKeyTUJGABHRSNETFM-UHFFFAOYSA-N
MW416.68 g/mol
LogP5.73
Rot. Bonds2

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

2-amino-4-(3-bromo-4-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile (PubChem CID 3326017) has the molecular formula C19H12BrClFN3 and a molecular weight of 416.68 g/mol. Its IUPAC name is 2-amino-4-(3-bromo-4-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-bromo-4-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile
PubChem CID3326017
Molecular FormulaC19H12BrClFN3
Molecular Weight416.68 g/mol
Exact Mass414.99
IUPAC Name2-amino-4-(3-bromo-4-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile
SMILESCc1c(-c2cccc(Cl)c2)nc(N)c(C#N)c1-c1ccc(F)c(Br)c1
InChIInChI=1S/C19H12BrClFN3/c1-10-17(11-5-6-16(22)15(20)8-11)14(9-23)19(24)25-18(10)12-3-2-4-13(21)7-12/h2-8H,1H3,(H2,24,25)
InChIKeyTUJGABHRSNETFM-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

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Related Compounds

2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 3324008
2-amino-4-(5-bromo-2-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3326018
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-(3-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322466
2-amino-6-(3-chlorophenyl)-4-(2,6-dichlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3328152
2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile
CID 3346636
2-amino-6-(4-fluorophenyl)-5-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 5159717
2-amino-6-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methylpyridine-3-carbonitrile
CID 3326015
2-amino-6-(3-chlorophenyl)-4-(2-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322467
2-amino-6-(4-chlorophenyl)-4-(2,5-difluorophenyl)-5-methylpyridine-3-carbonitrile
CID 3317750
2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3330133
2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 5172784

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-bromo-4-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-bromo-4-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile (CID 3326017) is 2-amino-4-(3-bromo-4-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-bromo-4-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-bromo-4-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile is Cc1c(-c2cccc(Cl)c2)nc(N)c(C#N)c1-c1ccc(F)c(Br)c1.
What is the InChIKey of 2-amino-4-(3-bromo-4-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile?
The InChIKey is TUJGABHRSNETFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrClFN3/c1-10-17(11-5-6-16(22)15(20)8-11)14(9-23)19(24)25-18(10)12-3-2-4-13(21)7-12/h2-8H,1H3,(H2,24,25).
What are the key properties of 2-amino-4-(3-bromo-4-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile?
2-amino-4-(3-bromo-4-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-(3-bromo-4-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 3326017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).