4-ethyl-3-fluoropyridine

• ChemBase ID: 293766
• Molecular Formular: C7H8FN
• Molecular Mass: 125.1435232
• Monoisotopic Mass: 125.06407748
• SMILES: Fc1c(CC)ccnc1
• Canonical SMILES: CCc1ccncc1F
• InChI: InChI=1S/C7H8FN/c1-2-6-3-4-9-5-7(6)8/h3-5H,2H2,1H3
• InChIKey: XYQUZSHKFDJKBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-3-fluoropyridine
• IUPAC Traditional name: 4-ethyl-3-fluoropyridine
• Synonyms: 4-Ethyl-3-fluoropyridine

Database IDs

• CAS Number: 137234-73-2
• MDL Number: MFCD08458319
• PubChem SID: 180679297
• PubChem CID: 17941270

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8509185
• LogD (pH = 7.4): 1.8561976
• Log P: 1.8562654
• Molar Refractivity: 33.7597 cm^3
• Polarizability: 12.699023 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%