2-bromo-6-methylquinoline

• ChemBase ID: 294226
• Molecular Formular: C10H8BrN
• Molecular Mass: 222.08122
• Monoisotopic Mass: 220.98401126
• SMILES: Cc1ccc2nc(Br)ccc2c1
• Canonical SMILES: Cc1ccc2c(c1)ccc(n2)Br
• InChI: InChI=1S/C10H8BrN/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3
• InChIKey: PFRRWCLQPTZNCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-methylquinoline
• IUPAC Traditional name: 2-bromo-6-methylquinoline
• Synonyms: 2-Bromo-6-methylquinoline

Database IDs

• CAS Number: 302939-86-2
• PubChem SID: 180679757
• PubChem CID: 818089

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6185799
• LogD (pH = 7.4): 3.6185963
• Log P: 3.6185966
• Molar Refractivity: 53.4855 cm^3
• Polarizability: 21.4244 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%