8-bromo-2-chloro-3-iodoquinoline

• ChemBase ID: 92233
• Molecular Formular: C9H4BrClIN
• Molecular Mass: 368.39623
• Monoisotopic Mass: 366.82603681
• SMILES: n1c(c(cc2cccc(c12)Br)I)Cl
• Canonical SMILES: Ic1cc2cccc(c2nc1Cl)Br
• InChI: InChI=1S/C9H4BrClIN/c10-6-3-1-2-5-4-7(12)9(11)13-8(5)6/h1-4H
• InChIKey: LUWPZLXEIPSUQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-2-chloro-3-iodoquinoline
• IUPAC Traditional name: 8-bromo-2-chloro-3-iodoquinoline
• Synonyms: 8-Bromo-2-chloro-3-iodoquinoline

Database IDs

• MDL Number: MFCD08741411
• PubChem SID: 162078931
• PubChem CID: 11089912

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.6528196
• LogD (pH = 7.4): 4.6528196
• Log P: 4.6528196
• Molar Refractivity: 66.8307 cm^3
• Polarizability: 26.974815 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true