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

C9H9ClN2O3CAS 349125-08-2228.63 g/mol

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OOOHNNCl
AmideAryl halideEster

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

((5-Chloropyridin-2-yl)amino)(oxo)acetic acid552850-73-456 % similar 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 3-chlorobenzoylformate62123-73-342 % similar Ethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate5948-71-041 % similar Ethyl 2-hydrazinyl-2-oxoacetate35196-48-641 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-N-methyl-N-(4-nitro-phenyl)-acetamide2653-16-9

Elsewhere

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