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

• ChemBase ID: 291638
• Molecular Formular: C18H11BrN2
• Molecular Mass: 335.19734
• Monoisotopic Mass: 334.01056036
• SMILES: N#Cc1c(Br)nc(c2ccccc2)cc1c1ccccc1
• Canonical SMILES: N#Cc1c(Br)nc(cc1c1ccccc1)c1ccccc1
• InChI: 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
• InChIKey: MHQOWNRJNSJRED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4,6-diphenylpyridine-3-carbonitrile
• IUPAC Traditional name: 2-bromo-4,6-diphenylpyridine-3-carbonitrile
• Synonyms: 2-Bromo-4,6-diphenylnicotinonitrile

Database IDs

• CAS Number: 82127-26-2
• MDL Number: MFCD00418222
• PubChem SID: 180677169
• PubChem CID: 818430

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.2662454
• LogD (pH = 7.4): 5.2662454
• Log P: 5.2662454
• Molar Refractivity: 87.9881 cm^3
• Polarizability: 35.87524 Å^3
• Polar Surface Area: 36.68 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%