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

• ChemBase ID: 289413
• Molecular Formular: C7H5Cl2NO
• Molecular Mass: 190.0267
• Monoisotopic Mass: 188.97481915
• SMILES: Cc1cc(Cl)nc(Cl)c1C=O
• Canonical SMILES: O=Cc1c(C)cc(nc1Cl)Cl
• InChI: InChI=1S/C7H5Cl2NO/c1-4-2-6(8)10-7(9)5(4)3-11/h2-3H,1H3
• InChIKey: SRHRJWIUZARPIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-4-methylpyridine-3-carbaldehyde
• IUPAC Traditional name: 2,6-dichloro-4-methylpyridine-3-carbaldehyde
• Synonyms: 2,6-Dichloro-4-methylnicotinaldehyde

Database IDs

• CAS Number: 91591-70-7
• PubChem SID: 180674944
• PubChem CID: 13849141

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6299407
• LogD (pH = 7.4): 2.6299407
• Log P: 2.6299407
• Molar Refractivity: 47.2585 cm^3
• Polarizability: 17.067633 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%