2-chloro-3,6-dimethylquinoline

• ChemBase ID: 807593
• Molecular Formular: C11H10ClN
• Molecular Mass: 191.6568
• Monoisotopic Mass: 191.05017701
• SMILES: c1cc2c(cc1C)cc(c(n2)Cl)C
• Canonical SMILES: Cc1ccc2c(c1)cc(c(n2)Cl)C
• InChI: InChI=1S/C11H10ClN/c1-7-3-4-10-9(5-7)6-8(2)11(12)13-10/h3-6H,1-2H3
• InChIKey: OVBZFZKRCZPILH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3,6-dimethylquinoline
• IUPAC Traditional name: 2-chloro-3,6-dimethylquinoline
• Synonyms: 2-CHLORO-3,6-DIMETHYLQUINOLINE

Database IDs

• CAS Number: 132118-28-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9819467
• LogD (pH = 7.4): 3.9819648
• Log P: 3.981965
• Molar Refractivity: 55.9278 cm^3
• Polarizability: 22.422049 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%