4-methoxy-3-methylpyridine-2-carbaldehyde

• ChemBase ID: 807199
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: n1c(c(c(cc1)OC)C)C=O
• Canonical SMILES: COc1ccnc(c1C)C=O
• InChI: InChI=1S/C8H9NO2/c1-6-7(5-10)9-4-3-8(6)11-2/h3-5H,1-2H3
• InChIKey: YOQCNNFQIFOMGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-3-methylpyridine-2-carbaldehyde
• IUPAC Traditional name: 4-methoxy-3-methylpyridine-2-carbaldehyde
• Synonyms: 4-METHOXY-3-METHYL-PYRIDINE-2-CARBALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.230851
• LogD (pH = 7.4): 1.4935918
• Log P: 1.498369
• Molar Refractivity: 41.6043 cm^3
• Polarizability: 15.622478 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%