ethyl 6-fluoropyridine-2-carboxylate

• ChemBase ID: 802754
• Molecular Formular: C8H8FNO2
• Molecular Mass: 169.1530232
• Monoisotopic Mass: 169.05390672
• SMILES: n1c(cccc1F)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cccc(n1)F
• InChI: InChI=1S/C8H8FNO2/c1-2-12-8(11)6-4-3-5-7(9)10-6/h3-5H,2H2,1H3
• InChIKey: IRIBDRWZEDUREH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-fluoropyridine-2-carboxylate
• IUPAC Traditional name: ethyl 6-fluoropyridine-2-carboxylate
• Synonyms: ETHYL 6-FLUOROPYRIDINE-2-CARBOXYLATE

Database IDs

• CAS Number: 1207609-63-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8383412
• LogD (pH = 7.4): 1.8383412
• Log P: 1.8383412
• Molar Refractivity: 41.5341 cm^3
• Polarizability: 15.456854 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%