6-bromo-8-(bromomethyl)quinoline

• ChemBase ID: 258163
• Molecular Formular: C10H7Br2N
• Molecular Mass: 300.97728
• Monoisotopic Mass: 298.89452323
• SMILES: c1(c2c(cc(c1)Br)cccn2)CBr
• Canonical SMILES: BrCc1cc(Br)cc2c1nccc2
• InChI: InChI=1S/C10H7Br2N/c11-6-8-5-9(12)4-7-2-1-3-13-10(7)8/h1-5H,6H2
• InChIKey: RUZCLFKANGIDDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-8-(bromomethyl)quinoline
• IUPAC Traditional name: 6-bromo-8-(bromomethyl)quinoline
• Synonyms: 6-bromo-8-(bromomethyl)quinoline

Database IDs

• MDL Number: MFCD09049943
• PubChem SID: 164314073
• PubChem CID: 16777483

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6700847
• LogD (pH = 7.4): 3.6723614
• Log P: 3.6723905
• Molar Refractivity: 60.4525 cm^3
• Polarizability: 24.251305 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 140 - 142°C
• Hydrophobicity(logP): 3.737

Product Information

• Purity: 95%