2,3,5,6-tetramethoxypyridine

• ChemBase ID: 102026
• Molecular Formular: C9H13NO4
• Molecular Mass: 199.20382
• Monoisotopic Mass: 199.0844579
• SMILES: c1(c(nc(c(c1)OC)OC)OC)OC
• Canonical SMILES: COc1nc(OC)c(cc1OC)OC
• InChI: InChI=1S/C9H13NO4/c1-11-6-5-7(12-2)9(14-4)10-8(6)13-3/h5H,1-4H3
• InChIKey: OVTWPLXLOLLTBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5,6-tetramethoxypyridine
• IUPAC Traditional name: 2,3,5,6-tetramethoxypyridine
• Synonyms: 2,3,5,6-Tetramethoxypyridine

Database IDs

• PubChem SID: 162105675
• PubChem CID: 45116416

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.3137939
• LogD (pH = 7.4): 1.3138033
• Log P: 1.3138034
• Molar Refractivity: 50.3809 cm^3
• Polarizability: 19.577227 Å^3
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%