5,8-dibromoquinoline

• ChemBase ID: 812267
• Molecular Formular: C9H5Br2N
• Molecular Mass: 286.9507
• Monoisotopic Mass: 284.87887317
• SMILES: c1c(c2c(c(c1)Br)cccn2)Br
• Canonical SMILES: Brc1ccc(c2c1nccc2)Br
• InChI: InChI=1S/C9H5Br2N/c10-7-3-4-8(11)9-6(7)2-1-5-12-9/h1-5H
• InChIKey: LCSHATKNSDVDRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,8-dibromoquinoline
• IUPAC Traditional name: 5,8-dibromoquinoline
• Synonyms: 5,8-DIBROMOQUINOLINE

Database IDs

• CAS Number: 81278-86-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.668033
• LogD (pH = 7.4): 3.668401
• Log P: 3.6684058
• Molar Refractivity: 55.2249 cm^3
• Polarizability: 22.547659 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%