6-bromo-5-chloropyridine-3-carbaldehyde

• ChemBase ID: 801201
• Molecular Formular: C6H3BrClNO
• Molecular Mass: 220.45112
• Monoisotopic Mass: 218.9086534
• SMILES: c1c(cnc(c1Cl)Br)C=O
• Canonical SMILES: O=Cc1cnc(c(c1)Cl)Br
• InChI: InChI=1S/C6H3BrClNO/c7-6-5(8)1-4(3-10)2-9-6/h1-3H
• InChIKey: ZHMQXDVVKJUUBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-5-chloropyridine-3-carbaldehyde
• IUPAC Traditional name: 6-bromo-5-chloropyridine-3-carbaldehyde
• Synonyms: 6-BROMO-5-CHLORONICOTINALDEHYDE

Database IDs

• CAS Number: 1228898-23-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.046395
• LogD (pH = 7.4): 2.046395
• Log P: 2.046395
• Molar Refractivity: 43.7549 cm^3
• Polarizability: 16.334038 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%