2,6-dimethoxypyridin-3-ol

• ChemBase ID: 799760
• Molecular Formular: C7H9NO3
• Molecular Mass: 155.15126
• Monoisotopic Mass: 155.05824315
• SMILES: n1c(c(ccc1OC)O)OC
• Canonical SMILES: COc1ccc(c(n1)OC)O
• InChI: InChI=1S/C7H9NO3/c1-10-6-4-3-5(9)7(8-6)11-2/h3-4,9H,1-2H3
• InChIKey: LUPAAWVWFNJEAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethoxypyridin-3-ol
• IUPAC Traditional name: 2,6-dimethoxypyridin-3-ol
• Synonyms: 2,6-dimethoxypyridin-3-ol

CALCULATED PROPERTIES

• Acid pKa: 9.735067
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3254879
• LogD (pH = 7.4): 1.3236144
• Log P: 1.3255806
• Molar Refractivity: 39.4354 cm^3
• Polarizability: 15.128774 Å^3
• Polar Surface Area: 51.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%