7-bromo-4-chloro-6-methylquinoline

• ChemBase ID: 88737
• Molecular Formular: C10H7BrClN
• Molecular Mass: 256.52628
• Monoisotopic Mass: 254.94503891
• SMILES: n1ccc(c2cc(c(cc12)Br)C)Cl
• Canonical SMILES: Brc1cc2nccc(c2cc1C)Cl
• InChI: InChI=1S/C10H7BrClN/c1-6-4-7-9(12)2-3-13-10(7)5-8(6)11/h2-5H,1H3
• InChIKey: AWRJHBCWXXOJMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-4-chloro-6-methylquinoline
• IUPAC Traditional name: 7-bromo-4-chloro-6-methylquinoline
• Synonyms: 7-Bromo-4-chloro-6-methylquinoline

Database IDs

• PubChem SID: 162104645
• PubChem CID: 45599391

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.01626
• LogD (pH = 7.4): 4.0171084
• Log P: 4.017119
• Molar Refractivity: 57.4481 cm^3
• Polarizability: 23.29711 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Air Sensitive/Light Sensitive/Store under Argon