6-fluoro-2-methoxyquinoline

• ChemBase ID: 290347
• Molecular Formular: C10H8FNO
• Molecular Mass: 177.1750232
• Monoisotopic Mass: 177.0589921
• SMILES: COc1nc2ccc(F)cc2cc1
• Canonical SMILES: COc1ccc2c(n1)ccc(c2)F
• InChI: InChI=1S/C10H8FNO/c1-13-10-5-2-7-6-8(11)3-4-9(7)12-10/h2-6H,1H3
• InChIKey: SIZUSOWUSDBAHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-2-methoxyquinoline
• IUPAC Traditional name: 6-fluoro-2-methoxyquinoline
• Synonyms: 6-Fluoro-2-methoxyquinoline

Database IDs

• CAS Number: 1226808-76-9
• PubChem SID: 180675878
• PubChem CID: 53217395

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7103462
• LogD (pH = 7.4): 2.7103882
• Log P: 2.7103887
• Molar Refractivity: 46.9724 cm^3
• Polarizability: 19.106218 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%