(2-methoxypyridin-4-yl)methanol

• ChemBase ID: 44747
• Molecular Formular: C7H9NO2
• Molecular Mass: 139.15186
• Monoisotopic Mass: 139.06332853
• SMILES: n1c(cc(CO)cc1)OC
• Canonical SMILES: COc1nccc(c1)CO
• InChI: InChI=1S/C7H9NO2/c1-10-7-4-6(5-9)2-3-8-7/h2-4,9H,5H2,1H3
• InChIKey: YENBVKZRNXXJSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxypyridin-4-yl)methanol
• IUPAC Traditional name: (2-methoxypyridin-4-yl)methanol
• Synonyms: (2-Methoxy-4-pyridinyl)methanol; (2-Methoxypyridin-4-yl)methanol

Database IDs

• CAS Number: 123148-66-3
• MDL Number: MFCD00859298
• PubChem SID: 162049510
• PubChem CID: 14462410

CALCULATED PROPERTIES

• Acid pKa: 14.724695
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4241065
• LogD (pH = 7.4): 0.4249985
• Log P: 0.42500988
• Molar Refractivity: 37.4937 cm^3
• Polarizability: 14.416097 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%; 97%