4-methoxypyridin-3-ol

• ChemBase ID: 52694
• Molecular Formular: C6H7NO2
• Molecular Mass: 125.12528
• Monoisotopic Mass: 125.04767847
• SMILES: c1cncc(c1OC)O
• Canonical SMILES: COc1ccncc1O
• InChI: InChI=1S/C6H7NO2/c1-9-6-2-3-7-4-5(6)8/h2-4,8H,1H3
• InChIKey: JHKBAGPVKNQUOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 153199-54-3
• MDL Number: MFCD11044354
• PubChem SID: 162057457
• PubChem CID: 11094609

CALCULATED PROPERTIES

• Acid pKa: 9.24521
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5225749
• LogD (pH = 7.4): 0.16855647
• Log P: 0.2943368
• Molar Refractivity: 32.3452 cm^3
• Polarizability: 12.571082 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 143-144°C

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%