6-bromo-4-chloro-8-fluoroquinoline

• ChemBase ID: 269716
• Molecular Formular: C9H4BrClFN
• Molecular Mass: 260.4901632
• Monoisotopic Mass: 258.91996703
• SMILES: c12c(c(cc(c1)Br)F)nccc2Cl
• Canonical SMILES: Brc1cc(F)c2c(c1)c(Cl)ccn2
• InChI: InChI=1S/C9H4BrClFN/c10-5-3-6-7(11)1-2-13-9(6)8(12)4-5/h1-4H
• InChIKey: BOJKYFPXJBYPIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-4-chloro-8-fluoroquinoline
• IUPAC Traditional name: 6-bromo-4-chloro-8-fluoroquinoline
• Synonyms: 6-bromo-4-chloro-8-fluoroquinoline

Database IDs

• MDL Number: MFCD09861346
• PubChem SID: 164325626
• PubChem CID: 43531966

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6463985
• LogD (pH = 7.4): 3.6463997
• Log P: 3.6463997
• Molar Refractivity: 52.6233 cm^3
• Polarizability: 21.34593 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 3.862

Product Information

• Purity: 95%