2-bromo-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile

C18H10BrClN2 — CID 1068811

IUPAC2-bromo-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2Cl)cc(-c2ccccc2)nc1Br
InChIInChI=1S/C18H10BrClN2/c19-18-15(11-21)14(13-8-4-5-9-16(13)20)10-17(22-18)12-6-2-1-3-7-12/h1-10H
InChIKeyBOSNNZZDOIRXAT-UHFFFAOYSA-N
MW369.65 g/mol
LogP5.70
Rot. Bonds2

About 2-bromo-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile

2-bromo-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile (PubChem CID 1068811) has the molecular formula C18H10BrClN2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 2-bromo-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-bromo-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile
PubChem CID1068811
Molecular FormulaC18H10BrClN2
Molecular Weight369.65 g/mol
Exact Mass367.97
IUPAC Name2-bromo-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2Cl)cc(-c2ccccc2)nc1Br
InChIInChI=1S/C18H10BrClN2/c19-18-15(11-21)14(13-8-4-5-9-16(13)20)10-17(22-18)12-6-2-1-3-7-12/h1-10H
InChIKeyBOSNNZZDOIRXAT-UHFFFAOYSA-N
XLogP5.70
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.65
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-bromo-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile (CID 1068811) is 2-bromo-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-bromo-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-bromo-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile is N#Cc1c(-c2ccccc2Cl)cc(-c2ccccc2)nc1Br.
What is the InChIKey of 2-bromo-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile?
The InChIKey is BOSNNZZDOIRXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrClN2/c19-18-15(11-21)14(13-8-4-5-9-16(13)20)10-17(22-18)12-6-2-1-3-7-12/h1-10H.
What are the key properties of 2-bromo-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile?
2-bromo-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile has a molecular weight of 369.65 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 1068811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).