2-methyl-4-phenylpyridine-3-carbonitrile

• ChemBase ID: 309131
• Molecular Formular: C13H10N2
• Molecular Mass: 194.2319
• Monoisotopic Mass: 194.08439833
• SMILES: c1(c(c2ccccc2)ccnc1C)C#N
• Canonical SMILES: N#Cc1c(C)nccc1c1ccccc1
• InChI: InChI=1S/C13H10N2/c1-10-13(9-14)12(7-8-15-10)11-5-3-2-4-6-11/h2-8H,1H3
• InChIKey: ABIZYBUWUINJEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-phenylpyridine-3-carbonitrile
• IUPAC Traditional name: 2-methyl-4-phenylpyridine-3-carbonitrile
• Synonyms: 2-methyl-4-phenylnicotinonitrile

Database IDs

• CAS Number: 102147-20-6
• MDL Number: MFCD01325607

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3895826
• LogD (pH = 7.4): 2.3902564
• Log P: 2.3902652
• Molar Refractivity: 59.3504 cm^3
• Polarizability: 24.071377 Å^3
• Polar Surface Area: 36.68 Å^2