4-methoxypyridin-2-ol

• ChemBase ID: 287627
• Molecular Formular: C6H7NO2
• Molecular Mass: 125.12528
• Monoisotopic Mass: 125.04767847
• SMILES: Oc1nccc(c1)OC
• Canonical SMILES: COc1ccnc(c1)O
• InChI: InChI=1S/C6H7NO2/c1-9-5-2-3-7-6(8)4-5/h2-4H,1H3,(H,7,8)
• InChIKey: BZIUQZRSHNDQTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxypyridin-2-ol
• IUPAC Traditional name: 4-methoxypyridin-2-ol
• Synonyms: 4-Methoxy-2(1H)-pyridinone

Database IDs

• CAS Number: 52545-13-8
• MDL Number: MFCD09839191
• PubChem SID: 180673158
• PubChem CID: 817715

CALCULATED PROPERTIES

• Acid pKa: 11.161847
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.888771
• LogD (pH = 7.4): 0.8887198
• Log P: 0.8887943
• Molar Refractivity: 32.6587 cm^3
• Polarizability: 12.572301 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%