8-bromo-4,5-dimethylquinoline

• ChemBase ID: 293170
• Molecular Formular: C11H10BrN
• Molecular Mass: 236.1078
• Monoisotopic Mass: 234.99966133
• SMILES: Cc1c2c(C)ccnc2c(Br)cc1
• Canonical SMILES: Brc1ccc(c2c1nccc2C)C
• InChI: InChI=1S/C11H10BrN/c1-7-3-4-9(12)11-10(7)8(2)5-6-13-11/h3-6H,1-2H3
• InChIKey: MAYNASLULYRPOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-4,5-dimethylquinoline
• IUPAC Traditional name: 8-bromo-4,5-dimethylquinoline
• Synonyms: 8-Bromo-4,5-dimethylquinoline

Database IDs

• PubChem SID: 180678701
• PubChem CID: 71464191

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.89302
• LogD (pH = 7.4): 3.9260564
• Log P: 3.9264958
• Molar Refractivity: 57.6845 cm^3
• Polarizability: 23.134066 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%