3,5-dichloropyridine-2-carbaldehyde

• ChemBase ID: 287994
• Molecular Formular: C6H3Cl2NO
• Molecular Mass: 176.00012
• Monoisotopic Mass: 174.95916908
• SMILES: O=Cc1ncc(Cl)cc1Cl
• Canonical SMILES: O=Cc1ncc(cc1Cl)Cl
• InChI: InChI=1S/C6H3Cl2NO/c7-4-1-5(8)6(3-10)9-2-4/h1-3H
• InChIKey: DYQOVHGBRUEOMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloropyridine-2-carbaldehyde
• IUPAC Traditional name: 3,5-dichloropyridine-2-carbaldehyde
• Synonyms: 3,5-Dichloropicolinaldehyde

Database IDs

• CAS Number: 471909-65-6
• PubChem SID: 180673525
• PubChem CID: 22170168

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3507066
• LogD (pH = 7.4): 2.3507082
• Log P: 2.3507082
• Molar Refractivity: 39.7095 cm^3
• Polarizability: 15.237433 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%