6-methoxypyridin-3-ol

• ChemBase ID: 52695
• Molecular Formular: C6H7NO2
• Molecular Mass: 125.12528
• Monoisotopic Mass: 125.04767847
• SMILES: c1(cnc(cc1)OC)O
• Canonical SMILES: COc1ccc(cn1)O
• InChI: InChI=1S/C6H7NO2/c1-9-6-3-2-5(8)4-7-6/h2-4,8H,1H3
• InChIKey: LKBKDKVMHWPZDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxypyridin-3-ol
• IUPAC Traditional name: 6-methoxypyridin-3-ol
• Synonyms: 6-Methoxypyridin-3-ol; 6-Methoxypyridin-3-ol; 5-Hydroxy-2-methoxypyridine; 5-Hydroxy-2-methoxylpyridine

Database IDs

• CAS Number: 51834-97-0
• MDL Number: MFCD06858737
• PubChem SID: 162057458
• PubChem CID: 11622335

CALCULATED PROPERTIES

• Acid pKa: 9.196403
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.88786113
• LogD (pH = 7.4): 0.8820156
• Log P: 0.8887943
• Molar Refractivity: 32.6587 cm^3
• Polarizability: 12.575022 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 80-81°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%