6-bromo-2-chloroquinoline-3-carbaldehyde

• ChemBase ID: 806211
• Molecular Formular: C10H5BrClNO
• Molecular Mass: 270.5098
• Monoisotopic Mass: 268.92430347
• SMILES: c1cc2c(cc1Br)cc(c(n2)Cl)C=O
• Canonical SMILES: O=Cc1cc2cc(Br)ccc2nc1Cl
• InChI: InChI=1S/C10H5BrClNO/c11-8-1-2-9-6(4-8)3-7(5-14)10(12)13-9/h1-5H
• InChIKey: DCZCMZVZWKXJAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-chloroquinoline-3-carbaldehyde
• IUPAC Traditional name: 6-bromo-2-chloroquinoline-3-carbaldehyde
• Synonyms: 6-BROMO-2-CHLOROQUINOLINE-3-CARBOXALDEHYDE

Database IDs

• CAS Number: 73568-35-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4363773
• LogD (pH = 7.4): 3.4363773
• Log P: 3.4363773
• Molar Refractivity: 60.0522 cm^3
• Polarizability: 23.558863 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%