5-benzylpyridin-3-ol

• ChemBase ID: 310585
• Molecular Formular: C12H11NO
• Molecular Mass: 185.22184
• Monoisotopic Mass: 185.08406398
• SMILES: n1cc(Cc2ccccc2)cc(c1)O
• Canonical SMILES: Oc1cncc(c1)Cc1ccccc1
• InChI: InChI=1S/C12H11NO/c14-12-7-11(8-13-9-12)6-10-4-2-1-3-5-10/h1-5,7-9,14H,6H2
• InChIKey: BBQJCGXVQMUHAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-benzylpyridin-3-ol
• IUPAC Traditional name: 5-benzylpyridin-3-ol
• Synonyms: 5-benzylpyridin-3-ol

Database IDs

• CAS Number: 52196-90-4
• MDL Number: MFCD00466478

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.26737
• LogD (pH = 7.4): 2.5312989
• Log P: 2.543802
• Molar Refractivity: 55.6192 cm^3
• Polarizability: 21.40609 Å^3
• Polar Surface Area: 33.12 Å^2