4-bromo-6-fluoro-2-methylquinoline

• ChemBase ID: 291434
• Molecular Formular: C10H7BrFN
• Molecular Mass: 240.0716832
• Monoisotopic Mass: 238.97458945
• SMILES: Cc1nc2ccc(F)cc2c(Br)c1
• Canonical SMILES: Fc1ccc2c(c1)c(Br)cc(n2)C
• InChI: InChI=1S/C10H7BrFN/c1-6-4-9(11)8-5-7(12)2-3-10(8)13-6/h2-5H,1H3
• InChIKey: PNUZBHRKDCGEIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-6-fluoro-2-methylquinoline
• IUPAC Traditional name: 4-bromo-6-fluoro-2-methylquinoline
• Synonyms: 4-Bromo-6-fluoro-2-methylquinoline

Database IDs

• CAS Number: 1070879-47-8
• MDL Number: MFCD11505132
• PubChem SID: 180676965
• PubChem CID: 39346140

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1717064
• LogD (pH = 7.4): 3.1736996
• Log P: 3.1737251
• Molar Refractivity: 52.41 cm^3
• Polarizability: 21.117283 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%