(3-methylpyridin-2-yl)methanol

• ChemBase ID: 813209
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: n1c(c(ccc1)C)CO
• Canonical SMILES: OCc1ncccc1C
• InChI: InChI=1S/C7H9NO/c1-6-3-2-4-8-7(6)5-9/h2-4,9H,5H2,1H3
• InChIKey: ACDAPUOXXWLLSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methylpyridin-2-yl)methanol
• IUPAC Traditional name: (3-methylpyridin-2-yl)methanol
• Synonyms: 2-HYDROXYMETHYL-3-METHYLPYRIDINE

Database IDs

• CAS Number: 63071-09-0

CALCULATED PROPERTIES

• Acid pKa: 14.23873
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.40339866
• LogD (pH = 7.4): 0.58027065
• Log P: 0.5831169
• Molar Refractivity: 35.236 cm^3
• Polarizability: 13.647839 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%