2-bromo-6-chloropyridine-4-carbaldehyde

• ChemBase ID: 814855
• Molecular Formular: C6H3BrClNO
• Molecular Mass: 220.45112
• Monoisotopic Mass: 218.9086534
• SMILES: c1(cc(nc(c1)Cl)Br)C=O
• Canonical SMILES: O=Cc1cc(Cl)nc(c1)Br
• InChI: InChI=1S/C6H3BrClNO/c7-5-1-4(3-10)2-6(8)9-5/h1-3H
• InChIKey: ITDGLHOLFMPOOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-chloropyridine-4-carbaldehyde
• IUPAC Traditional name: 2-bromo-6-chloropyridine-4-carbaldehyde
• Synonyms: 2-bromo-6-chloroisonicotinaldehyde

Database IDs

• CAS Number: 1060811-22-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2665722
• LogD (pH = 7.4): 2.2665722
• Log P: 2.2665722
• Molar Refractivity: 44.8162 cm^3
• Polarizability: 16.362024 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%