6-bromo-4-chloro-2,3-dimethylquinoline

• ChemBase ID: 281661
• Molecular Formular: C11H9BrClN
• Molecular Mass: 270.55286
• Monoisotopic Mass: 268.96068897
• SMILES: c12c(c(c(nc1ccc(c2)Br)C)C)Cl
• Canonical SMILES: Brc1ccc2c(c1)c(Cl)c(c(n2)C)C
• InChI: InChI=1S/C11H9BrClN/c1-6-7(2)14-10-4-3-8(12)5-9(10)11(6)13/h3-5H,1-2H3
• InChIKey: SZHHYOXKPQQPNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-4-chloro-2,3-dimethylquinoline
• IUPAC Traditional name: 6-bromo-4-chloro-2,3-dimethylquinoline
• Synonyms: 6-bromo-4-chloro-2,3-dimethylquinoline

Database IDs

• MDL Number: MFCD12817544
• PubChem SID: 180667192
• PubChem CID: 47003428

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.1436377
• LogD (pH = 7.4): 4.148428
• Log P: 4.1484895
• Molar Refractivity: 62.0396 cm^3
• Polarizability: 25.050074 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99 - 101°C
• Hydrophobicity(logP): 4.659

Product Information

• Purity: 95%