6-(dimethylamino)-4-methylpyridine-3-carbaldehyde

• ChemBase ID: 806507
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: c1(c(cnc(c1)N(C)C)C=O)C
• Canonical SMILES: O=Cc1cnc(cc1C)N(C)C
• InChI: InChI=1S/C9H12N2O/c1-7-4-9(11(2)3)10-5-8(7)6-12/h4-6H,1-3H3
• InChIKey: WPSFOIQTQNCLRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(dimethylamino)-4-methylpyridine-3-carbaldehyde
• IUPAC Traditional name: 6-(dimethylamino)-4-methylpyridine-3-carbaldehyde
• Synonyms: 6-(DIMETHYLAMINO)-4-METHYLNICOTINALDEHYDE

Database IDs

• CAS Number: 764651-69-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.96137583
• LogD (pH = 7.4): 1.6575729
• Log P: 1.6839985
• Molar Refractivity: 50.2684 cm^3
• Polarizability: 17.909237 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%