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

C9H10Cl2N2O3CAS 1243308-37-3265.09 g/mol

Open in Covalent MOL file
OOOHNNClHCl
AmideAryl halideEster

Properties

Molecular formula
C9H10Cl2N2O3
Molar mass
265.09 g/mol
Exact mass
264.0068 Da
logP
1.66Crippen estimate
Polar surface area
68.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
1243308-37-3
SMILES
CCOC(=O)C(=O)NC1=NC=C(C=C1)Cl.Cl
InChIKey
AZWJPQKNPCTYCU-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClN2O3.ClH/c1-2-15-9(14)8(13)12-7-4-3-6(10)5-11-7;/h3-5H,2H2,1H3,(H,11,12,13);1H

Weigh it out

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

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-oxoacetate349125-08-2Free base

Similar compounds

((5-Chloropyridin-2-yl)amino)(oxo)acetic acid552850-73-452 % similar Ethyl oxanilate1457-85-848 % similar Ethyl 4-chlorobenzoylformate34966-48-848 % similar Ethyl 4-chlorobenzoate7335-27-542 % similar DL-p-Chlorophenylalanine ethyl ester hydrochloride52031-05-741 % similar p-Chlorophenylacetic acid ethyl ester14062-24-940 % similar Ethyl 3-chlorobenzoylformate62123-73-340 % similar Ethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate5948-71-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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