2-methoxypyridin-4-ol

• ChemBase ID: 289270
• Molecular Formular: C6H7NO2
• Molecular Mass: 125.12528
• Monoisotopic Mass: 125.04767847
• SMILES: Oc1cc(OC)ncc1
• Canonical SMILES: COc1cc(O)ccn1
• InChI: InChI=1S/C6H7NO2/c1-9-6-4-5(8)2-3-7-6/h2-4H,1H3,(H,7,8)
• InChIKey: LRNDOTVCAIEGPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxypyridin-4-ol
• IUPAC Traditional name: 2-methoxypyridin-4-ol
• Synonyms: 2-Methoxypyridin-4-ol

Database IDs

• CAS Number: 66080-45-3
• PubChem SID: 180674801
• PubChem CID: 46398141

CALCULATED PROPERTIES

• Acid pKa: 10.0631
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8886832
• LogD (pH = 7.4): 0.88786775
• Log P: 0.8887943
• Molar Refractivity: 32.6587 cm^3
• Polarizability: 12.5724535 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%