CAS 96568-04-6|ethyl 3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropanoate|Ethyl 3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropionate|ethyl 3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropanoate|Eth...

General Information

Structure

Molecular Formula

C₁₀H₈Cl₂FNO₃

Molecular Mass

280.0798232

Exact Mass

278.9865267

Charge

InChI

InChI=1S/C10H8Cl2FNO3/c1-2-17-8(16)4-7(15)5-3-6(13)10(12)14-9(5)11/h3H,2,4H2,1H3

InChIKey

IEUHWNLWVMLHHC-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)CC(=O)c1cc(F)c(nc1Cl)Cl

Isomeric Smiles

n1c(c(cc(c1Cl)C(=O)CC(=O)OCC)F)Cl

Calculated Properties

JChem

Acid pKa

8.863746

H Acceptors

H Donor

LogD (pH = 5.5)

2.4991093

LogD (pH = 7.4)

2.4846284

Log P

2.499297

Molar Refractivity

62.1143

Polarizability

23.34932

Polar Surface Area

56.26

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

Ethyl 3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropionateEthyl 2,6-dichloro-5-fluoronicotinoylacetate 97%Ethyl 2,6-dichloro-5-fluoro-β-oxo-3-pyridinepropionate3-(2,6-Dichloro-5-fluoropyridin-3-yl)-3-oxopropanoic Acid Ethyl EsterEthyl 2,6-Dichloro-5-fluoro-β-oxo-3-pyridinepropanoate2,6-二氯-5-氟烟酰乙酸乙酯

IUPAC name

ethyl 3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropanoate

IUPAC Traditional name

ethyl 3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropanoate

Names and Identifiers

Registration numbers

MDL Number

MFCD00799535

PubChem CID

2733708

PubChem SID

16208371024870794