2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile

C19H12BrClFN3 — CID 3346636

IUPAC2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile
SMILESCc1c(-c2ccc(Br)cc2)nc(N)c(C#N)c1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C19H12BrClFN3/c1-10-17(12-4-7-15(21)16(22)8-12)14(9-23)19(24)25-18(10)11-2-5-13(20)6-3-11/h2-8H,1H3,(H2,24,25)
InChIKeyGXWSIWAWTMQJES-UHFFFAOYSA-N
MW416.68 g/mol
LogP5.73
Rot. Bonds2

About 2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile

2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile (PubChem CID 3346636) has the molecular formula C19H12BrClFN3 and a molecular weight of 416.68 g/mol. Its IUPAC name is 2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile
PubChem CID3346636
Molecular FormulaC19H12BrClFN3
Molecular Weight416.68 g/mol
Exact Mass414.99
IUPAC Name2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile
SMILESCc1c(-c2ccc(Br)cc2)nc(N)c(C#N)c1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C19H12BrClFN3/c1-10-17(12-4-7-15(21)16(22)8-12)14(9-23)19(24)25-18(10)11-2-5-13(20)6-3-11/h2-8H,1H3,(H2,24,25)
InChIKeyGXWSIWAWTMQJES-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile (CID 3346636) is 2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile is Cc1c(-c2ccc(Br)cc2)nc(N)c(C#N)c1-c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile?
The InChIKey is GXWSIWAWTMQJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrClFN3/c1-10-17(12-4-7-15(21)16(22)8-12)14(9-23)19(24)25-18(10)11-2-5-13(20)6-3-11/h2-8H,1H3,(H2,24,25).
What are the key properties of 2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile?
2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-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-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 3346636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).