6-methoxy-4-methylpyridine-3-carbaldehyde

• ChemBase ID: 800793
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: c1(c(cnc(c1)OC)C=O)C
• Canonical SMILES: COc1ncc(c(c1)C)C=O
• InChI: InChI=1S/C8H9NO2/c1-6-3-8(11-2)9-4-7(6)5-10/h3-5H,1-2H3
• InChIKey: DRPZNLLEUHICFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-4-methylpyridine-3-carbaldehyde
• IUPAC Traditional name: 6-methoxy-4-methylpyridine-3-carbaldehyde
• Synonyms: 6-methoxy-4-methylnicotinaldehyde

Database IDs

• CAS Number: 123506-66-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4176437
• LogD (pH = 7.4): 1.4182754
• Log P: 1.4182833
• Molar Refractivity: 42.303 cm^3
• Polarizability: 15.620836 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%