2,4-dichloro-6-methylpyridine-3-carbaldehyde

• ChemBase ID: 806495
• Molecular Formular: C7H5Cl2NO
• Molecular Mass: 190.0267
• Monoisotopic Mass: 188.97481915
• SMILES: c1(c(c(nc(c1)C)Cl)C=O)Cl
• Canonical SMILES: O=Cc1c(Cl)cc(nc1Cl)C
• InChI: InChI=1S/C7H5Cl2NO/c1-4-2-6(8)5(3-11)7(9)10-4/h2-3H,1H3
• InChIKey: QUHJCWDZCMZQFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-methylpyridine-3-carbaldehyde
• IUPAC Traditional name: 2,4-dichloro-6-methylpyridine-3-carbaldehyde
• Synonyms: 2,4-DICHLORO-6-METHYLNICOTINALDEHYDE

Database IDs

• CAS Number: 91591-72-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0277102
• LogD (pH = 7.4): 2.0277123
• Log P: 2.0277123
• Molar Refractivity: 45.7475 cm^3
• Polarizability: 17.023636 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%