6-bromo-4-chloro-8-fluoro-2-methylquinoline

• ChemBase ID: 272791
• Molecular Formular: C10H6BrClFN
• Molecular Mass: 274.5167432
• Monoisotopic Mass: 272.9356171
• SMILES: c12c(nc(cc1Cl)C)c(cc(c2)Br)F
• Canonical SMILES: Brc1cc(F)c2c(c1)c(Cl)cc(n2)C
• InChI: InChI=1S/C10H6BrClFN/c1-5-2-8(12)7-3-6(11)4-9(13)10(7)14-5/h2-4H,1H3
• InChIKey: ZUQUNBICVNSQMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-4-chloro-8-fluoro-2-methylquinoline
• IUPAC Traditional name: 6-bromo-4-chloro-8-fluoro-2-methylquinoline
• Synonyms: 6-bromo-4-chloro-8-fluoro-2-methylquinoline

Database IDs

• MDL Number: MFCD12115097
• PubChem SID: 164328701
• PubChem CID: 43668643

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7777648
• LogD (pH = 7.4): 3.7777698
• Log P: 3.7777698
• Molar Refractivity: 57.2148 cm^3
• Polarizability: 23.085417 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.361

Product Information

• Purity: 95%