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

• ChemBase ID: 87980
• Molecular Formular: C12H11NO
• Molecular Mass: 185.22184
• Monoisotopic Mass: 185.08406398
• SMILES: n1cc(ccc1)c1ccccc1CO
• Canonical SMILES: OCc1ccccc1c1cccnc1
• InChI: InChI=1S/C12H11NO/c14-9-11-4-1-2-6-12(11)10-5-3-7-13-8-10/h1-8,14H,9H2
• InChIKey: QREMDJYNQPJMFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(pyridin-3-yl)phenyl]methanol
• IUPAC Traditional name: [2-(pyridin-3-yl)phenyl]methanol
• Synonyms: (2-pyrid-3-ylphenyl)methanol; (2-Pyrid-3-ylphenyl)methanol 97%

Database IDs

• CAS Number: 857284-03-8
• MDL Number: MFCD08060473
• PubChem SID: 162075020
• PubChem CID: 7537538

CALCULATED PROPERTIES

• Acid pKa: 15.130982
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5796008
• LogD (pH = 7.4): 1.6346874
• Log P: 1.6354489
• Molar Refractivity: 55.8532 cm^3
• Polarizability: 22.909483 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%