[5-(3-methoxyphenyl)pyridin-3-yl]methanol

• ChemBase ID: 796735
• Molecular Formular: C13H13NO2
• Molecular Mass: 215.24782
• Monoisotopic Mass: 215.09462866
• SMILES: C(O)c1cncc(c1)c1cc(ccc1)OC
• Canonical SMILES: OCc1cncc(c1)c1cccc(c1)OC
• InChI: InChI=1S/C13H13NO2/c1-16-13-4-2-3-11(6-13)12-5-10(9-15)7-14-8-12/h2-8,15H,9H2,1H3
• InChIKey: XHMZFBBZGLFXHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(3-methoxyphenyl)pyridin-3-yl]methanol
• IUPAC Traditional name: [5-(3-methoxyphenyl)pyridin-3-yl]methanol
• Synonyms: (5-(3-Methoxyphenyl)pyridin-3-yl)Methanol

Database IDs

• CAS Number: 887974-01-8

CALCULATED PROPERTIES

• Acid pKa: 14.651101
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4534612
• LogD (pH = 7.4): 1.4774609
• Log P: 1.4777777
• Molar Refractivity: 62.3164 cm^3
• Polarizability: 25.379265 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%