2-chloro-6-fluoro-4-methylquinoline

• ChemBase ID: 308778
• Molecular Formular: C10H7ClFN
• Molecular Mass: 195.6206832
• Monoisotopic Mass: 195.02510513
• SMILES: n1c2c(c(cc1Cl)C)cc(cc2)F
• Canonical SMILES: Fc1ccc2c(c1)c(C)cc(n2)Cl
• InChI: InChI=1S/C10H7ClFN/c1-6-4-10(11)13-9-3-2-7(12)5-8(6)9/h2-5H,1H3
• InChIKey: NWUZTEJFFHETQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-fluoro-4-methylquinoline
• IUPAC Traditional name: 2-chloro-6-fluoro-4-methylquinoline
• Synonyms: 2-chloro-6-fluoro-4-methylquinoline

Database IDs

• CAS Number: 18529-12-9
• MDL Number: MFCD03085779

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6112416
• LogD (pH = 7.4): 3.6112456
• Log P: 3.6112456
• Molar Refractivity: 51.103 cm^3
• Polarizability: 20.275944 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%