(2-methoxypyridin-3-yl)methanol

• ChemBase ID: 45065
• Molecular Formular: C7H9NO2
• Molecular Mass: 139.15186
• Monoisotopic Mass: 139.06332853
• SMILES: c1(c(CO)cccn1)OC
• Canonical SMILES: COc1ncccc1CO
• InChI: InChI=1S/C7H9NO2/c1-10-7-6(5-9)3-2-4-8-7/h2-4,9H,5H2,1H3
• InChIKey: OFWONXXWLCHTSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxypyridin-3-yl)methanol
• IUPAC Traditional name: (2-methoxypyridin-3-yl)methanol
• Synonyms: (2-Methoxypyridin-3-yl)methanol; (2-Methoxy-3-pyridinyl)methanol

Database IDs

• CAS Number: 112197-16-7
• MDL Number: MFCD09880283
• PubChem SID: 162049828
• PubChem CID: 10630565

CALCULATED PROPERTIES

• Acid pKa: 14.364205
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.42446256
• LogD (pH = 7.4): 0.42500293
• Log P: 0.42500988
• Molar Refractivity: 37.4937 cm^3
• Polarizability: 14.416635 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49 - 51 °C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; >97%; 95+%; 98%