4,6-dichloropyridine-2-carbaldehyde

• ChemBase ID: 815404
• Molecular Formular: C6H3Cl2NO
• Molecular Mass: 176.00012
• Monoisotopic Mass: 174.95916908
• SMILES: c1(cc(nc(c1)C=O)Cl)Cl
• Canonical SMILES: O=Cc1cc(Cl)cc(n1)Cl
• InChI: InChI=1S/C6H3Cl2NO/c7-4-1-5(3-10)9-6(8)2-4/h1-3H
• InChIKey: VNSCIAVHRDIZMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dichloropyridine-2-carbaldehyde
• IUPAC Traditional name: 4,6-dichloropyridine-2-carbaldehyde
• Synonyms: 4,6-dichloropicolinaldehyde

Database IDs

• CAS Number: 132683-62-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5708854
• LogD (pH = 7.4): 2.5708854
• Log P: 2.5708854
• Molar Refractivity: 40.7708 cm^3
• Polarizability: 15.259099 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%