2-bromo-4,6-diphenylpyridine-3-carbonitrile

C18H11BrN2 — CID 818430

IUPAC2-bromo-4,6-diphenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1Br
InChIInChI=1S/C18H11BrN2/c19-18-16(12-20)15(13-7-3-1-4-8-13)11-17(21-18)14-9-5-2-6-10-14/h1-11H
InChIKeyMHQOWNRJNSJRED-UHFFFAOYSA-N
MW335.20 g/mol
LogP5.05
Rot. Bonds2

About 2-bromo-4,6-diphenylpyridine-3-carbonitrile

2-bromo-4,6-diphenylpyridine-3-carbonitrile (PubChem CID 818430) has the molecular formula C18H11BrN2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-bromo-4,6-diphenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-bromo-4,6-diphenylpyridine-3-carbonitrile
PubChem CID818430
Molecular FormulaC18H11BrN2
Molecular Weight335.20 g/mol
Exact Mass334.01
IUPAC Name2-bromo-4,6-diphenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1Br
InChIInChI=1S/C18H11BrN2/c19-18-16(12-20)15(13-7-3-1-4-8-13)11-17(21-18)14-9-5-2-6-10-14/h1-11H
InChIKeyMHQOWNRJNSJRED-UHFFFAOYSA-N
XLogP5.05
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.20
LogP ≤ 55.05
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-4,6-diphenylpyridine-3-carbonitrile?
The IUPAC name of 2-bromo-4,6-diphenylpyridine-3-carbonitrile (CID 818430) is 2-bromo-4,6-diphenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-bromo-4,6-diphenylpyridine-3-carbonitrile?
The canonical SMILES for 2-bromo-4,6-diphenylpyridine-3-carbonitrile is N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1Br.
What is the InChIKey of 2-bromo-4,6-diphenylpyridine-3-carbonitrile?
The InChIKey is MHQOWNRJNSJRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN2/c19-18-16(12-20)15(13-7-3-1-4-8-13)11-17(21-18)14-9-5-2-6-10-14/h1-11H.
What are the key properties of 2-bromo-4,6-diphenylpyridine-3-carbonitrile?
2-bromo-4,6-diphenylpyridine-3-carbonitrile has a molecular weight of 335.20 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-diphenylpyridine-3-carbonitrile is sourced from PubChem (CID 818430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).