3-benzylpyridine

• ChemBase ID: 92348
• Molecular Formular: C12H11N
• Molecular Mass: 169.22244
• Monoisotopic Mass: 169.08914936
• SMILES: n1cc(ccc1)Cc1ccccc1
• Canonical SMILES: c1ccc(cc1)Cc1cccnc1
• InChI: InChI=1S/C12H11N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-8,10H,9H2
• InChIKey: UUCLVSDUMKMBSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-benzylpyridine
• IUPAC Traditional name: 3-benzylpyridine
• Synonyms: 3-Benzylpyridine

Database IDs

• MDL Number: MFCD00006408
• PubChem SID: 162079046
• PubChem CID: 12112

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6248596
• LogD (pH = 7.4): 2.8434246
• Log P: 2.8473675
• Molar Refractivity: 53.6383 cm^3
• Polarizability: 20.848614 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true