3-fluoro-6-methoxyquinoline

• ChemBase ID: 113056
• Molecular Formular: C10H8FNO
• Molecular Mass: 177.1750232
• Monoisotopic Mass: 177.0589921
• SMILES: n1c2c(cc(c1)F)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)cc(cn2)F
• InChI: InChI=1S/C10H8FNO/c1-13-9-2-3-10-7(5-9)4-8(11)6-12-10/h2-6H,1H3
• InChIKey: LEJRFUDTXRWNFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-6-methoxyquinoline
• IUPAC Traditional name: 3-fluoro-6-methoxyquinoline
• Synonyms: 3-fluoro-6-methoxyquinoline

Database IDs

• CAS Number: 426842-85-5
• PubChem SID: 162097831
• PubChem CID: 11309840

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1158006
• LogD (pH = 7.4): 2.1159296
• Log P: 2.115931
• Molar Refractivity: 46.6589 cm^3
• Polarizability: 19.103706 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: >97%