(4-methoxy-6-methylpyridin-2-yl)methanol

• ChemBase ID: 245166
• Molecular Formular: C8H11NO2
• Molecular Mass: 153.17844
• Monoisotopic Mass: 153.0789786
• SMILES: n1c(cc(cc1C)OC)CO
• Canonical SMILES: COc1cc(CO)nc(c1)C
• InChI: InChI=1S/C8H11NO2/c1-6-3-8(11-2)4-7(5-10)9-6/h3-4,10H,5H2,1-2H3
• InChIKey: FOYWYUGVVJWFNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxy-6-methylpyridin-2-yl)methanol
• IUPAC Traditional name: (4-methoxy-6-methylpyridin-2-yl)methanol
• Synonyms: (4-methoxy-6-methylpyridin-2-yl)methanol

Database IDs

• MDL Number: MFCD00483882
• PubChem SID: 164301076
• PubChem CID: 13925676

CALCULATED PROPERTIES

• Acid pKa: 14.149031
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2358563
• LogD (pH = 7.4): -0.06724694
• Log P: 0.043394417
• Molar Refractivity: 41.2495 cm^3
• Polarizability: 16.172743 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69 - 71°C
• Hydrophobicity(logP): 0.976

Product Information

• Purity: 95%