4-fluoropyridine-3-carbaldehyde

• ChemBase ID: 808931
• Molecular Formular: C6H4FNO
• Molecular Mass: 125.1004632
• Monoisotopic Mass: 125.02769197
• SMILES: n1cc(c(cc1)F)C=O
• Canonical SMILES: O=Cc1cnccc1F
• InChI: InChI=1S/C6H4FNO/c7-6-1-2-8-3-5(6)4-9/h1-4H
• InChIKey: GYLWJSOFHBYFMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoropyridine-3-carbaldehyde
• IUPAC Traditional name: 4-fluoropyridine-3-carbaldehyde
• Synonyms: 4-FLUORO-3-FORMYLPYRIDINE

Database IDs

• CAS Number: 884495-32-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.60381144
• LogD (pH = 7.4): 0.6106891
• Log P: 0.6107777
• Molar Refractivity: 30.7015 cm^3
• Polarizability: 11.068125 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%