8-bromo-6-methylquinoline

• ChemBase ID: 287025
• Molecular Formular: C10H8BrN
• Molecular Mass: 222.08122
• Monoisotopic Mass: 220.98401126
• SMILES: Cc1cc(Br)c2ncccc2c1
• Canonical SMILES: Cc1cc2cccnc2c(c1)Br
• InChI: InChI=1S/C10H8BrN/c1-7-5-8-3-2-4-12-10(8)9(11)6-7/h2-6H,1H3
• InChIKey: ONJNEQXRWAWITH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-6-methylquinoline
• IUPAC Traditional name: 8-bromo-6-methylquinoline
• Synonyms: 8-Bromo-6-methylquinoline

Database IDs

• CAS Number: 84839-95-2
• MDL Number: MFCD09701455
• PubChem SID: 180672556
• PubChem CID: 13088043

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4099534
• LogD (pH = 7.4): 3.4130352
• Log P: 3.4130745
• Molar Refractivity: 52.6433 cm^3
• Polarizability: 21.375988 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%