5-fluoroquinoline-8-carbaldehyde

• ChemBase ID: 274018
• Molecular Formular: C10H6FNO
• Molecular Mass: 175.1591432
• Monoisotopic Mass: 175.04334204
• SMILES: c12c(c(ccc1C=O)F)cccn2
• Canonical SMILES: O=Cc1ccc(c2c1nccc2)F
• InChI: InChI=1S/C10H6FNO/c11-9-4-3-7(6-13)10-8(9)2-1-5-12-10/h1-6H
• InChIKey: CAVLCVOHYPZDAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoroquinoline-8-carbaldehyde
• IUPAC Traditional name: 5-fluoroquinoline-8-carbaldehyde
• Synonyms: 5-fluoroquinoline-8-carbaldehyde

Database IDs

• MDL Number: MFCD15526826
• PubChem SID: 164329928
• PubChem CID: 53418504

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9851285
• LogD (pH = 7.4): 1.9860924
• Log P: 1.9861047
• Molar Refractivity: 46.7797 cm^3
• Polarizability: 18.490221 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 113 - 115°C
• Hydrophobicity(logP): 2.002

Product Information

• Purity: 95%