2-bromo-5-chloropyridine-4-carbaldehyde

• ChemBase ID: 804253
• Molecular Formular: C6H3BrClNO
• Molecular Mass: 220.45112
• Monoisotopic Mass: 218.9086534
• SMILES: n1c(cc(c(c1)Cl)C=O)Br
• Canonical SMILES: O=Cc1cc(Br)ncc1Cl
• InChI: InChI=1S/C6H3BrClNO/c7-6-1-4(3-10)5(8)2-9-6/h1-3H
• InChIKey: OBHVMEJUYJSWKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-chloropyridine-4-carbaldehyde
• IUPAC Traditional name: 2-bromo-5-chloropyridine-4-carbaldehyde
• Synonyms: 2-BROMO-5-CHLOROPYRIDINE-4-CARBOXALDEHYDE

Database IDs

• CAS Number: 921630-14-0

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: 16.33031 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%