6-(dimethylamino)-2,4-dimethylpyridine-3-carbaldehyde

• ChemBase ID: 806508
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: c1(c(c(nc(c1)N(C)C)C)C=O)C
• Canonical SMILES: O=Cc1c(C)cc(nc1C)N(C)C
• InChI: InChI=1S/C10H14N2O/c1-7-5-10(12(3)4)11-8(2)9(7)6-13/h5-6H,1-4H3
• InChIKey: ZQPDYBAMBJIHJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(dimethylamino)-2,4-dimethylpyridine-3-carbaldehyde
• IUPAC Traditional name: 6-(dimethylamino)-2,4-dimethylpyridine-3-carbaldehyde
• Synonyms: 6-(DIMETHYLAMINO)-2,4-DIMETHYLNICOTINALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.320421
• LogD (pH = 7.4): 1.6189163
• Log P: 1.8153687
• Molar Refractivity: 54.8599 cm^3
• Polarizability: 19.674149 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%