2,3,5,6-tetramethoxypyridine-4-carbaldehyde

• ChemBase ID: 102031
• Molecular Formular: C10H13NO5
• Molecular Mass: 227.21392
• Monoisotopic Mass: 227.07937252
• SMILES: c1(c(nc(c(c1C=O)OC)OC)OC)OC
• Canonical SMILES: COc1nc(OC)c(c(c1OC)C=O)OC
• InChI: InChI=1S/C10H13NO5/c1-13-7-6(5-12)8(14-2)10(16-4)11-9(7)15-3/h5H,1-4H3
• InChIKey: YXOHZRJDJWQZBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5,6-tetramethoxypyridine-4-carbaldehyde
• IUPAC Traditional name: 2,3,5,6-tetramethoxypyridine-4-carbaldehyde
• Synonyms: 2,3,5,6-Tetramethoxyisonicotinaldehyde

Database IDs

• PubChem SID: 162105686
• PubChem CID: 71300176

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.0263051
• LogD (pH = 7.4): 1.0263057
• Log P: 1.0263057
• Molar Refractivity: 56.9649 cm^3
• Polarizability: 21.527987 Å^3
• Polar Surface Area: 66.88 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%