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

• ChemBase ID: 811687
• Molecular Formular: C13H13NO2
• Molecular Mass: 215.24782
• Monoisotopic Mass: 215.09462866
• SMILES: C(O)c1cnc(cc1)c1cc(ccc1)OC
• Canonical SMILES: COc1cccc(c1)c1ccc(cn1)CO
• InChI: InChI=1S/C13H13NO2/c1-16-12-4-2-3-11(7-12)13-6-5-10(9-15)8-14-13/h2-8,15H,9H2,1H3
• InChIKey: RLQJQUXEXZORII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 887974-48-3

CALCULATED PROPERTIES

• Acid pKa: 14.702506
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8526793
• LogD (pH = 7.4): 1.8634883
• Log P: 1.863628
• Molar Refractivity: 61.9444 cm^3
• Polarizability: 25.380865 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%