3-methoxypyridin-2-ol

• ChemBase ID: 33261
• Molecular Formular: C6H7NO2
• Molecular Mass: 125.12528
• Monoisotopic Mass: 125.04767847
• SMILES: c1(ncccc1OC)O
• Canonical SMILES: COc1cccnc1O
• InChI: InChI=1S/C6H7NO2/c1-9-5-3-2-4-7-6(5)8/h2-4H,1H3,(H,7,8)
• InChIKey: LKIMDXQLHFCXQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 20928-63-6
• MDL Number: MFCD08061315
• PubChem SID: 160996568
• PubChem CID: 88731

CALCULATED PROPERTIES

• Acid pKa: 11.857863
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.88855255
• LogD (pH = 7.4): 0.88877636
• Log P: 0.8887943
• Molar Refractivity: 32.6587 cm^3
• Polarizability: 12.57674 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false