3,4-dibromo-7-chloroquinoline

• ChemBase ID: 90952
• Molecular Formular: C9H4Br2ClN
• Molecular Mass: 321.39576
• Monoisotopic Mass: 318.83990081
• SMILES: n1cc(c(c2c1cc(cc2)Cl)Br)Br
• Canonical SMILES: Clc1ccc2c(c1)ncc(c2Br)Br
• InChI: InChI=1S/C9H4Br2ClN/c10-7-4-13-8-3-5(12)1-2-6(8)9(7)11/h1-4H
• InChIKey: CTKIMVBVZVAFNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dibromo-7-chloroquinoline
• IUPAC Traditional name: 3,4-dibromo-7-chloroquinoline
• Synonyms: 3,4-Dibromo-7-chloroquinoline

Database IDs

• MDL Number: MFCD01631223
• PubChem SID: 162077656
• PubChem CID: 2735941

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.272442
• LogD (pH = 7.4): 4.2724504
• Log P: 4.2724504
• Molar Refractivity: 60.0297 cm^3
• Polarizability: 24.535416 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true