ethyl 2-(4-fluoropyridin-2-yl)acetate

• ChemBase ID: 801802
• Molecular Formular: C9H10FNO2
• Molecular Mass: 183.1796032
• Monoisotopic Mass: 183.06955679
• SMILES: O(C(=O)Cc1nccc(c1)F)CC
• Canonical SMILES: CCOC(=O)Cc1cc(F)ccn1
• InChI: InChI=1S/C9H10FNO2/c1-2-13-9(12)6-8-5-7(10)3-4-11-8/h3-5H,2,6H2,1H3
• InChIKey: UDNDQWWKXOSPOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(4-fluoropyridin-2-yl)acetate
• IUPAC Traditional name: ethyl 2-(4-fluoropyridin-2-yl)acetate
• Synonyms: ETHYL (4-FLUOROPYRIDIN-2-YL)ACETATE

CALCULATED PROPERTIES

• Acid pKa: 19.892418
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4137408
• LogD (pH = 7.4): 1.4244378
• Log P: 1.4245759
• Molar Refractivity: 44.5708 cm^3
• Polarizability: 17.29112 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%