6-fluoroquinoline-8-carbaldehyde

• ChemBase ID: 274023
• Molecular Formular: C10H6FNO
• Molecular Mass: 175.1591432
• Monoisotopic Mass: 175.04334204
• SMILES: c1(c2c(cc(c1)F)cccn2)C=O
• Canonical SMILES: O=Cc1cc(F)cc2c1nccc2
• InChI: InChI=1S/C10H6FNO/c11-9-4-7-2-1-3-12-10(7)8(5-9)6-13/h1-6H
• InChIKey: WDNMGOKPEQFEOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoroquinoline-8-carbaldehyde
• IUPAC Traditional name: 6-fluoroquinoline-8-carbaldehyde
• Synonyms: 6-fluoroquinoline-8-carbaldehyde

Database IDs

• MDL Number: MFCD15526830
• PubChem SID: 164329933
• PubChem CID: 21818204

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9857634
• LogD (pH = 7.4): 1.9861004
• Log P: 1.9861047
• Molar Refractivity: 46.7797 cm^3
• Polarizability: 18.486694 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114 - 116°C
• Hydrophobicity(logP): 2.002

Product Information

• Purity: 95%