3-methoxypyridin-4-ol

• ChemBase ID: 89559
• Molecular Formular: C6H7NO2
• Molecular Mass: 125.12528
• Monoisotopic Mass: 125.04767847
• SMILES: Oc1ccncc1OC
• Canonical SMILES: COc1cnccc1O
• InChI: InChI=1S/C6H7NO2/c1-9-6-4-7-3-2-5(6)8/h2-4H,1H3,(H,7,8)
• InChIKey: XKECCYGTTKNLOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxypyridin-4-ol
• IUPAC Traditional name: 3-methoxypyridin-4-ol
• Synonyms: 3-Methoxypyridin-4-ol; 4-Hydroxypyridin-3-yl methyl ether; 4-Hydroxy-3-methoxypyridine

Database IDs

• CAS Number: 62885-41-0
• PubChem SID: 162076436
• PubChem CID: 186643

CALCULATED PROPERTIES

• Acid pKa: 11.239077
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.2923301
• LogD (pH = 7.4): 0.2942418
• Log P: 0.2943368
• Molar Refractivity: 32.3452 cm^3
• Polarizability: 12.571055 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon