2-(bromomethyl)-6-methoxyquinoline

• ChemBase ID: 801496
• Molecular Formular: C11H10BrNO
• Molecular Mass: 252.1072
• Monoisotopic Mass: 250.99457595
• SMILES: c1cc2c(cc1OC)ccc(n2)CBr
• Canonical SMILES: COc1ccc2c(c1)ccc(n2)CBr
• InChI: InChI=1S/C11H10BrNO/c1-14-10-4-5-11-8(6-10)2-3-9(7-12)13-11/h2-6H,7H2,1H3
• InChIKey: JIFUUGHBYDMCDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(bromomethyl)-6-methoxyquinoline
• IUPAC Traditional name: 2-(bromomethyl)-6-methoxyquinoline
• Synonyms: 2-(BROMOMETHYL)-6-METHOXYQUINOLINE

CALCULATED PROPERTIES

• LogD (pH = 5.5): 2.8188357
• LogD (pH = 7.4): 2.8273292
• Log P: 2.8274384
• Molar Refractivity: 58.7707 cm^3
• Polarizability: 23.887295 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0

PROPERTIES

Product Information

• Purity: 98%