8-bromo-5-methoxy-2-methylquinoline

• ChemBase ID: 795989
• Molecular Formular: C11H10BrNO
• Molecular Mass: 252.1072
• Monoisotopic Mass: 250.99457595
• SMILES: c1c(c2c(c(c1)OC)ccc(n2)C)Br
• Canonical SMILES: COc1ccc(c2c1ccc(n2)C)Br
• InChI: InChI=1S/C11H10BrNO/c1-7-3-4-8-10(14-2)6-5-9(12)11(8)13-7/h3-6H,1-2H3
• InChIKey: YPDRTOFPJRBVFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-5-methoxy-2-methylquinoline
• IUPAC Traditional name: 8-bromo-5-methoxy-2-methylquinoline
• Synonyms: 8-bromo-5-methoxy-2-methylquinoline

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8418033
• LogD (pH = 7.4): 2.8729398
• Log P: 2.873352
• Molar Refractivity: 58.6568 cm^3
• Polarizability: 23.919552 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%