6-fluoroquinoline-2-carbaldehyde

• ChemBase ID: 306732
• Molecular Formular: C10H6FNO
• Molecular Mass: 175.1591432
• Monoisotopic Mass: 175.04334204
• SMILES: n1c2c(cc(cc2)F)ccc1C=O
• Canonical SMILES: O=Cc1ccc2c(n1)ccc(c2)F
• InChI: InChI=1S/C10H6FNO/c11-8-2-4-10-7(5-8)1-3-9(6-13)12-10/h1-6H
• InChIKey: JDQMJKKGPXPPOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoroquinoline-2-carbaldehyde
• IUPAC Traditional name: 6-fluoroquinoline-2-carbaldehyde
• Synonyms: 6-fluoroquinoline-2-carbaldehyde

Database IDs

• CAS Number: 260430-93-1
• MDL Number: MFCD06751849

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6605022
• LogD (pH = 7.4): 2.660646
• Log P: 2.6606479
• Molar Refractivity: 46.3945 cm^3
• Polarizability: 18.489363 Å^3
• Polar Surface Area: 29.96 Å^2