[6-(4-methoxyphenyl)pyridin-3-yl]methanol

• ChemBase ID: 65984
• Molecular Formular: C13H13NO2
• Molecular Mass: 215.24782
• Monoisotopic Mass: 215.09462866
• SMILES: n1c(c2ccc(cc2)OC)ccc(c1)CO
• Canonical SMILES: OCc1ccc(nc1)c1ccc(cc1)OC
• InChI: InChI=1S/C13H13NO2/c1-16-12-5-3-11(4-6-12)13-7-2-10(9-15)8-14-13/h2-8,15H,9H2,1H3
• InChIKey: ALTSPZPVYXVOSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(4-methoxyphenyl)pyridin-3-yl]methanol
• IUPAC Traditional name: [6-(4-methoxyphenyl)pyridin-3-yl]methanol
• Synonyms: [6-(4-Methoxyphenyl)pyridin-3-yl]methanol

Database IDs

• MDL Number: MFCD06410445
• PubChem SID: 162031723
• PubChem CID: 24729915

CALCULATED PROPERTIES

• Acid pKa: 14.710652
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8464775
• LogD (pH = 7.4): 1.8634075
• Log P: 1.863628
• Molar Refractivity: 61.9444 cm^3
• Polarizability: 25.377785 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 94 - 96 °C; 94-96°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >97%