2-chloro-6-fluoro-4-methoxyquinoline

• ChemBase ID: 804501
• Molecular Formular: C10H7ClFNO
• Molecular Mass: 211.6200832
• Monoisotopic Mass: 211.02001975
• SMILES: c1cc2c(cc1F)c(cc(n2)Cl)OC
• Canonical SMILES: COc1cc(Cl)nc2c1cc(F)cc2
• InChI: InChI=1S/C10H7ClFNO/c1-14-9-5-10(11)13-8-3-2-6(12)4-7(8)9/h2-5H,1H3
• InChIKey: LZTCKQKFSJPYOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-fluoro-4-methoxyquinoline
• IUPAC Traditional name: 2-chloro-6-fluoro-4-methoxyquinoline
• Synonyms: 2-CHLORO-6-FLUORO-4-METHOXYQUINOLINE

Database IDs

• CAS Number: 860296-85-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9401338
• LogD (pH = 7.4): 2.9401526
• Log P: 2.940153
• Molar Refractivity: 52.525 cm^3
• Polarizability: 21.05146 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%