5,6-dimethoxypyridin-2-ol

• ChemBase ID: 65646
• Molecular Formular: C7H9NO3
• Molecular Mass: 155.15126
• Monoisotopic Mass: 155.05824315
• SMILES: c1(c(nc(cc1)O)OC)OC
• Canonical SMILES: COc1nc(O)ccc1OC
• InChI: InChI=1S/C7H9NO3/c1-10-5-3-4-6(9)8-7(5)11-2/h3-4H,1-2H3,(H,8,9)
• InChIKey: CTNOHOBCYBMASQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethoxypyridin-2-ol
• IUPAC Traditional name: 5,6-dimethoxypyridin-2-ol
• Synonyms: 5,6-Dimethoxypyridin-2-ol

Database IDs

• MDL Number: MFCD21609482
• PubChem SID: 162031385
• PubChem CID: 71299136

CALCULATED PROPERTIES

• Acid pKa: 11.855239
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3255793
• LogD (pH = 7.4): 1.3255656
• Log P: 1.3255806
• Molar Refractivity: 39.4354 cm^3
• Polarizability: 15.128623 Å^3
• Polar Surface Area: 51.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%