8-bromo-4-methylquinoline

• ChemBase ID: 289171
• Molecular Formular: C10H8BrN
• Molecular Mass: 222.08122
• Monoisotopic Mass: 220.98401126
• SMILES: Cc1ccnc2c1cccc2Br
• Canonical SMILES: Cc1ccnc2c1cccc2Br
• InChI: InChI=1S/C10H8BrN/c1-7-5-6-12-10-8(7)3-2-4-9(10)11/h2-6H,1H3
• InChIKey: RNCFUSVOFDOIRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-4-methylquinoline
• IUPAC Traditional name: 8-bromo-4-methylquinoline
• Synonyms: 8-Bromo-4-methylquinoline

Database IDs

• CAS Number: 172939-50-3
• PubChem SID: 180674702
• PubChem CID: 15379909

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4005914
• LogD (pH = 7.4): 3.4129148
• Log P: 3.4130745
• Molar Refractivity: 52.6433 cm^3
• Polarizability: 21.375116 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%