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

• ChemBase ID: 813432
• Molecular Formular: C7H9NO2
• Molecular Mass: 139.15186
• Monoisotopic Mass: 139.06332853
• SMILES: C(O)c1cnc(cc1)CO
• Canonical SMILES: OCc1ccc(cn1)CO
• InChI: InChI=1S/C7H9NO2/c9-4-6-1-2-7(5-10)8-3-6/h1-3,9-10H,4-5H2
• InChIKey: RSJLUZSZKJXUFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(hydroxymethyl)pyridin-3-yl]methanol
• IUPAC Traditional name: [6-(hydroxymethyl)pyridin-3-yl]methanol
• Synonyms: [6-(HYDROXYMETHYL)PYRIDIN-3-YL]METHANOL

Database IDs

• CAS Number: 21514-99-8

CALCULATED PROPERTIES

• Acid pKa: 14.075753
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.7233126
• LogD (pH = 7.4): -0.69798774
• Log P: -0.69765425
• Molar Refractivity: 37.0107 cm^3
• Polarizability: 14.352746 Å^3
• Polar Surface Area: 53.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%