Ethyl 2-((5-chloropyridin-2-yl)amino)-2-oxoacetate

C₉H₉ClN₂O₃CAS 349125-08-2228.63 g/mol

Open in Covalent MOL file

Amide Aryl halide Ester

Properties

Molecular formula: C₉H₉ClN₂O₃
Molar mass: 228.63 g/mol
Exact mass: 228.0302 Da
logP: 1.24Crippen estimate
Polar surface area: 68.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

349125-08-2

SMILES

CCOC(=O)C(=O)NC1=NC=C(C=C1)Cl

InChIKey

LSQWUGYWDZRKNW-UHFFFAOYSA-N

InChI

InChI=1S/C9H9ClN2O3/c1-2-15-9(14)8(13)12-7-4-3-6(10)5-11-7/h3-5H,2H2,1H3,(H,11,12,13)

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Names and synonyms

1 names

N-(5-Chloropyridin-2-yl)oxalamic acid ethyl ester

Work with Ethyl 2-((5-chloropyridin-2-yl)amino)-2-oxoacetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ethyl 2-((5-chloropyridin-2-yl)amino)-2-oxoacetate hydrochloride1243308-37-3Salt

Similar compounds

Ethyl oxanilate1457-85-851 % similar Ethyl 4-chlorobenzoylformate34966-48-851 % similar Ethyl 4-chlorobenzoate7335-27-544 % similar p-Chlorophenylacetic acid ethyl ester14062-24-943 % similar Ethyl 2-hydrazinyl-2-oxoacetate35196-48-641 % similar 3-(4-Chloro-phenyl)-3-oxo-propionic acid ethyl ester2881-63-240 % similar Chlorobenzilate510-15-639 % similar Clofibrate637-07-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Chloro-N-methyl-N-(4-nitrophenyl)acetamide2653-16-9

Elsewhere

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