8-bromo-2-methylquinoline

• ChemBase ID: 812268
• Molecular Formular: C10H8BrN
• Molecular Mass: 222.08122
• Monoisotopic Mass: 220.98401126
• SMILES: c1c(c2c(cc1)ccc(n2)C)Br
• Canonical SMILES: Cc1ccc2c(n1)c(Br)ccc2
• InChI: InChI=1S/C10H8BrN/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-6H,1H3
• InChIKey: GQPRZSFQSOEDNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-2-methylquinoline
• IUPAC Traditional name: 8-bromo-2-methylquinoline
• Synonyms: 8-BROMO-2-METHYLQUINOLINE

Database IDs

• CAS Number: 61047-43-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0217004
• LogD (pH = 7.4): 3.0309045
• Log P: 3.0310233
• Molar Refractivity: 52.1936 cm^3
• Polarizability: 21.375896 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%