2-chloro-7-fluoro-4-methylquinoline

• ChemBase ID: 310546
• Molecular Formular: C10H7ClFN
• Molecular Mass: 195.6206832
• Monoisotopic Mass: 195.02510513
• SMILES: c12nc(cc(c1ccc(c2)F)C)Cl
• Canonical SMILES: Fc1ccc2c(c1)nc(cc2C)Cl
• InChI: InChI=1S/C10H7ClFN/c1-6-4-10(11)13-9-5-7(12)2-3-8(6)9/h2-5H,1H3
• InChIKey: CNCKWJPUEAAFAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-7-fluoro-4-methylquinoline
• IUPAC Traditional name: 2-chloro-7-fluoro-4-methylquinoline
• Synonyms: 2-chloro-7-fluoro-4-methylquinoline

Database IDs

• CAS Number: 271241-25-9
• MDL Number: MFCD05864529

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6112368
• LogD (pH = 7.4): 3.6112456
• Log P: 3.6112456
• Molar Refractivity: 51.103 cm^3
• Polarizability: 20.276834 Å^3
• Polar Surface Area: 12.89 Å^2