6-bromo-8-methylquinoline hydrochloride

• ChemBase ID: 291406
• Molecular Formular: C10H9BrClN
• Molecular Mass: 258.54216
• Monoisotopic Mass: 256.96068897
• SMILES: Cc1c2ncccc2cc(Br)c1.Cl
• Canonical SMILES: Brc1cc2cccnc2c(c1)C.Cl
• InChI: InChI=1S/C10H8BrN.ClH/c1-7-5-9(11)6-8-3-2-4-12-10(7)8;/h2-6H,1H3;1H
• InChIKey: WIILIZHVRUWNMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1257665-18-1
• MDL Number: MFCD18087747
• PubChem SID: 180676937
• PubChem CID: 53217402

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4072008
• LogD (pH = 7.4): 3.413
• Log P: 3.4130745
• Molar Refractivity: 52.6433 cm^3
• Polarizability: 21.368729 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%