2-chloro-6-fluoro-3-methylquinoline

• ChemBase ID: 805143
• Molecular Formular: C10H7ClFN
• Molecular Mass: 195.6206832
• Monoisotopic Mass: 195.02510513
• SMILES: c1cc2c(cc1F)cc(c(n2)Cl)C
• Canonical SMILES: Fc1ccc2c(c1)cc(c(n2)Cl)C
• InChI: InChI=1S/C10H7ClFN/c1-6-4-7-5-8(12)2-3-9(7)13-10(6)11/h2-5H,1H3
• InChIKey: KPVOTWBHWHCHSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-fluoro-3-methylquinoline
• IUPAC Traditional name: 2-chloro-6-fluoro-3-methylquinoline
• Synonyms: 2-CHLORO-6-FLUORO-3-METHYLQUINOLINE

Database IDs

• CAS Number: 131610-11-2

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.611244
• LogD (pH = 7.4): 3.6112456
• Log P: 3.6112456
• Molar Refractivity: 51.103 cm^3
• Polarizability: 20.27556 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%