6-bromo-5,8-difluoroquinoline

• ChemBase ID: 98859
• Molecular Formular: C9H4BrF2N
• Molecular Mass: 244.0355664
• Monoisotopic Mass: 242.94951757
• SMILES: n1c2c(cc(c(c2ccc1)F)Br)F
• Canonical SMILES: Fc1cc(Br)c(c2c1nccc2)F
• InChI: InChI=1S/C9H4BrF2N/c10-6-4-7(11)9-5(8(6)12)2-1-3-13-9/h1-4H
• InChIKey: GVFUBMHGLPCFNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-5,8-difluoroquinoline
• IUPAC Traditional name: 6-bromo-5,8-difluoroquinoline
• Synonyms: 6-Bromo-5,8-difluoroquinoline

Database IDs

• PubChem SID: 162105277
• PubChem CID: 45790932

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1850514
• LogD (pH = 7.4): 3.185057
• Log P: 3.185057
• Molar Refractivity: 48.0349 cm^3
• Polarizability: 19.20858 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant