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

• ChemBase ID: 77233
• Molecular Formular: C12H11NO
• Molecular Mass: 185.22184
• Monoisotopic Mass: 185.08406398
• SMILES: n1cc(ccc1)c1ccc(cc1)CO
• Canonical SMILES: OCc1ccc(cc1)c1cccnc1
• InChI: InChI=1S/C12H11NO/c14-9-10-3-5-11(6-4-10)12-2-1-7-13-8-12/h1-8,14H,9H2
• InChIKey: ZHIJCVCCKVZBHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(pyridin-3-yl)phenyl]methanol
• IUPAC Traditional name: [4-(pyridin-3-yl)phenyl]methanol
• Synonyms: (4-Pyridin-3-ylphenyl)methanol; 3-[4-(Hydroxymethyl)phenyl]pyridine 97%; (4-pyrid-3-ylphenyl)methanol

Database IDs

• CAS Number: 217189-04-3
• MDL Number: MFCD04116293
• PubChem SID: 162042106
• PubChem CID: 1515243

CALCULATED PROPERTIES

• Acid pKa: 14.979514
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5753897
• LogD (pH = 7.4): 1.634625
• Log P: 1.6354489
• Molar Refractivity: 55.8532 cm^3
• Polarizability: 22.907932 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 105.5-107.5°C

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 97%