6-methoxypyridin-2-ol

• ChemBase ID: 810651
• Molecular Formular: C6H7NO2
• Molecular Mass: 125.12528
• Monoisotopic Mass: 125.04767847
• SMILES: n1c(cccc1OC)O
• Canonical SMILES: COc1cccc(n1)O
• InChI: InChI=1S/C6H7NO2/c1-9-6-4-2-3-5(8)7-6/h2-4H,1H3,(H,7,8)
• InChIKey: DEXSUIQBIMPSNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxypyridin-2-ol
• IUPAC Traditional name: 6-methoxypyridin-2-ol
• Synonyms: 2-HYDROXY-6-METHOXYPYRIDINE

Database IDs

• CAS Number: 22385-36-0

CALCULATED PROPERTIES

• Acid pKa: 11.317424
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4832484
• LogD (pH = 7.4): 1.4832
• Log P: 1.4832518
• Molar Refractivity: 32.9722 cm^3
• Polarizability: 12.578154 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%