(5-methoxypyridin-2-yl)methanol

• ChemBase ID: 293863
• Molecular Formular: C7H9NO2
• Molecular Mass: 139.15186
• Monoisotopic Mass: 139.06332853
• SMILES: OCc1ncc(OC)cc1
• Canonical SMILES: COc1ccc(nc1)CO
• InChI: InChI=1S/C7H9NO2/c1-10-7-3-2-6(5-9)8-4-7/h2-4,9H,5H2,1H3
• InChIKey: YSGIZFIQWAPBLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methoxypyridin-2-yl)methanol
• IUPAC Traditional name: (5-methoxypyridin-2-yl)methanol
• Synonyms: (5-Methoxypyridine-2-yl)methanol; (5-methoxypyridin-2-yl)methanol

Database IDs

• CAS Number: 127978-70-5
• PubChem SID: 180679394
• PubChem CID: 12214020

CALCULATED PROPERTIES

• Acid pKa: 14.248578
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.11790932
• LogD (pH = 7.4): -0.088366784
• Log P: -0.087975755
• Molar Refractivity: 36.658 cm^3
• Polarizability: 14.414698 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%