6-bromo-2-chloro-4-methylquinoline

• ChemBase ID: 288159
• Molecular Formular: C10H7BrClN
• Molecular Mass: 256.52628
• Monoisotopic Mass: 254.94503891
• SMILES: Cc1cc(Cl)nc2ccc(Br)cc12
• Canonical SMILES: Brc1ccc2c(c1)c(C)cc(n2)Cl
• InChI: InChI=1S/C10H7BrClN/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9/h2-5H,1H3
• InChIKey: NPDAQPXGOAYKAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-chloro-4-methylquinoline
• IUPAC Traditional name: 6-bromo-2-chloro-4-methylquinoline
• Synonyms: 6-Bromo-2-chloro-4-methylquinoline

Database IDs

• CAS Number: 3913-19-7
• PubChem SID: 180673690
• PubChem CID: 4738143

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.2372923
• LogD (pH = 7.4): 4.237296
• Log P: 4.237296
• Molar Refractivity: 58.5094 cm^3
• Polarizability: 23.34542 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%