2-chloro-4,6-dimethylquinoline

• ChemBase ID: 306720
• Molecular Formular: C11H10ClN
• Molecular Mass: 191.6568
• Monoisotopic Mass: 191.05017701
• SMILES: n1c2c(c(cc1Cl)C)cc(cc2)C
• Canonical SMILES: Cc1ccc2c(c1)c(C)cc(n2)Cl
• InChI: InChI=1S/C11H10ClN/c1-7-3-4-10-9(5-7)8(2)6-11(12)13-10/h3-6H,1-2H3
• InChIKey: UPMJOZIDQGBLDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4,6-dimethylquinoline
• IUPAC Traditional name: 2-chloro-4,6-dimethylquinoline
• Synonyms: 2-chloro-4,6-dimethylquinoline

Database IDs

• CAS Number: 3913-18-6
• MDL Number: MFCD00456553

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9819233
• LogD (pH = 7.4): 3.9819646
• Log P: 3.981965
• Molar Refractivity: 55.9278 cm^3
• Polarizability: 22.422474 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%