4-methyl-3-phenylpyridine

• ChemBase ID: 796734
• Molecular Formular: C12H11N
• Molecular Mass: 169.22244
• Monoisotopic Mass: 169.08914936
• SMILES: n1cc(c(cc1)C)c1ccccc1
• Canonical SMILES: Cc1ccncc1c1ccccc1
• InChI: InChI=1S/C12H11N/c1-10-7-8-13-9-12(10)11-5-3-2-4-6-11/h2-9H,1H3
• InChIKey: YDJITZMUZXZCBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-3-phenylpyridine
• IUPAC Traditional name: 4-methyl-3-phenylpyridine
• Synonyms: 4-Methyl-3-phenylpyridine

Database IDs

• CAS Number: 19352-29-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6385975
• LogD (pH = 7.4): 2.9108047
• Log P: 2.9162202
• Molar Refractivity: 54.0785 cm^3
• Polarizability: 22.301983 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%