[3-(pyridin-3-yl)phenyl]methanol

• ChemBase ID: 92906
• Molecular Formular: C12H11NO
• Molecular Mass: 185.22184
• Monoisotopic Mass: 185.08406398
• SMILES: n1cc(ccc1)c1cc(ccc1)CO
• Canonical SMILES: OCc1cccc(c1)c1cccnc1
• InChI: InChI=1S/C12H11NO/c14-9-10-3-1-4-11(7-10)12-5-2-6-13-8-12/h1-8,14H,9H2
• InChIKey: TVEWOWFVTBBHDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(pyridin-3-yl)phenyl]methanol
• IUPAC Traditional name: [3-(pyridin-3-yl)phenyl]methanol
• Synonyms: (3-pyrid-3-ylphenyl)methanol; [3-(Pyridin-3-yl)phenyl]methanol; 3-(Pyridin-3-yl)benzyl alcohol 97%

Database IDs

• CAS Number: 85553-54-4
• MDL Number: MFCD06797488
• PubChem SID: 162079604
• PubChem CID: 2795577

CALCULATED PROPERTIES

• Acid pKa: 14.952746
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5757903
• LogD (pH = 7.4): 1.6346309
• Log P: 1.6354489
• Molar Refractivity: 55.8532 cm^3
• Polarizability: 22.908283 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant

Product Information

• Purity: 97%