8-(bromomethyl)-6-fluoroquinoline

• ChemBase ID: 255894
• Molecular Formular: C10H7BrFN
• Molecular Mass: 240.0716832
• Monoisotopic Mass: 238.97458945
• SMILES: c1(c2c(cc(c1)F)cccn2)CBr
• Canonical SMILES: BrCc1cc(F)cc2c1nccc2
• InChI: InChI=1S/C10H7BrFN/c11-6-8-5-9(12)4-7-2-1-3-13-10(7)8/h1-5H,6H2
• InChIKey: NOBVXSWUZDZIMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09046569
• PubChem SID: 164311804
• PubChem CID: 16774194

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0436966
• LogD (pH = 7.4): 3.0463064
• Log P: 3.0463398
• Molar Refractivity: 53.0461 cm^3
• Polarizability: 21.092718 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 96 - 98°C
• Hydrophobicity(logP): 3.017

Product Information

• Purity: 95%