2,5,6-trimethoxypyridin-3-ol

• ChemBase ID: 102015
• Molecular Formular: C8H11NO4
• Molecular Mass: 185.17724
• Monoisotopic Mass: 185.06880784
• SMILES: c1(c(nc(c(c1)OC)OC)OC)O
• Canonical SMILES: COc1nc(OC)c(cc1OC)O
• InChI: InChI=1S/C8H11NO4/c1-11-6-4-5(10)7(12-2)9-8(6)13-3/h4,10H,1-3H3
• InChIKey: RGKGXTYMPJYSGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5,6-trimethoxypyridin-3-ol
• IUPAC Traditional name: 2,5,6-trimethoxypyridin-3-ol
• Synonyms: 2,5,6-Trimethoxypyridin-3-ol

Database IDs

• PubChem SID: 162105648
• PubChem CID: 71300142

CALCULATED PROPERTIES

• Acid pKa: 9.70393
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.1678562
• LogD (pH = 7.4): 1.1658001
• Log P: 1.1679094
• Molar Refractivity: 45.8986 cm^3
• Polarizability: 17.685127 Å^3
• Polar Surface Area: 60.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%