6-ethoxy-5-fluoropyridine-3-carbaldehyde

• ChemBase ID: 807228
• Molecular Formular: C8H8FNO2
• Molecular Mass: 169.1530232
• Monoisotopic Mass: 169.05390672
• SMILES: n1cc(cc(c1OCC)F)C=O
• Canonical SMILES: CCOc1ncc(cc1F)C=O
• InChI: InChI=1S/C8H8FNO2/c1-2-12-8-7(9)3-6(5-11)4-10-8/h3-5H,2H2,1H3
• InChIKey: VAKKZABHJLZCIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethoxy-5-fluoropyridine-3-carbaldehyde
• IUPAC Traditional name: 6-ethoxy-5-fluoropyridine-3-carbaldehyde
• Synonyms: 6-ETHOXY-5-FLUORO-PYRIDINE-3-CARBALDEHYDE

Database IDs

• CAS Number: 886372-69-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4043716
• LogD (pH = 7.4): 1.4043719
• Log P: 1.4043719
• Molar Refractivity: 42.2268 cm^3
• Polarizability: 15.447908 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%