7-bromo-4-chloro-2,8-dimethylquinoline

• ChemBase ID: 88740
• Molecular Formular: C11H9BrClN
• Molecular Mass: 270.55286
• Monoisotopic Mass: 268.96068897
• SMILES: n1c(cc(c2ccc(c(c12)C)Br)Cl)C
• Canonical SMILES: Cc1cc(Cl)c2c(n1)c(C)c(cc2)Br
• InChI: InChI=1S/C11H9BrClN/c1-6-5-10(13)8-3-4-9(12)7(2)11(8)14-6/h3-5H,1-2H3
• InChIKey: JJOXAYSGWSYGNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-4-chloro-2,8-dimethylquinoline
• IUPAC Traditional name: 7-bromo-4-chloro-2,8-dimethylquinoline
• Synonyms: 7-Bromo-4-chloro-2,8-dimethylquinoline

Database IDs

• PubChem SID: 162104686
• PubChem CID: 45599429

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.1456904
• LogD (pH = 7.4): 4.148454
• Log P: 4.1484895
• Molar Refractivity: 62.0396 cm^3
• Polarizability: 25.051092 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Air Sensitive/Light Sensitive/Store under Argon