(6-methoxypyridin-3-yl)methanol

• ChemBase ID: 63518
• Molecular Formular: C7H9NO2
• Molecular Mass: 139.15186
• Monoisotopic Mass: 139.06332853
• SMILES: c1(ccc(OC)nc1)CO
• Canonical SMILES: OCc1ccc(nc1)OC
• InChI: InChI=1S/C7H9NO2/c1-10-7-3-2-6(5-9)4-8-7/h2-4,9H,5H2,1H3
• InChIKey: YKTYUHMWNUVAAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methoxypyridin-3-yl)methanol
• IUPAC Traditional name: (6-methoxypyridin-3-yl)methanol
• Synonyms: (6-Methoxypyridin-3-yl)methanol; (6-Methoxy-3-pyridyl)methanol

Database IDs

• CAS Number: 58584-63-7
• MDL Number: MFCD06202826
• PubChem SID: 162029257
• PubChem CID: 12259941

CALCULATED PROPERTIES

• Acid pKa: 14.7112055
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4245688
• LogD (pH = 7.4): 0.4250043
• Log P: 0.42500988
• Molar Refractivity: 37.4937 cm^3
• Polarizability: 14.416427 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.877

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 95+%; 98%