6-fluoroquinoline-3-carbaldehyde

• ChemBase ID: 814363
• Molecular Formular: C10H6FNO
• Molecular Mass: 175.1591432
• Monoisotopic Mass: 175.04334204
• SMILES: c1cc2c(cc1F)cc(cn2)C=O
• Canonical SMILES: O=Cc1cnc2c(c1)cc(cc2)F
• InChI: InChI=1S/C10H6FNO/c11-9-1-2-10-8(4-9)3-7(6-13)5-12-10/h1-6H
• InChIKey: PUMHTKUNRZZGSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoroquinoline-3-carbaldehyde
• IUPAC Traditional name: 6-fluoroquinoline-3-carbaldehyde
• Synonyms: 6-fluoroquinoline-3-carbaldehyde

Database IDs

• CAS Number: 1196154-66-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9857621
• LogD (pH = 7.4): 1.9861004
• Log P: 1.9861047
• Molar Refractivity: 46.7797 cm^3
• Polarizability: 18.485147 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%