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

C₉H₁₀Cl₂N₂O₃CAS 1243308-37-3265.09 g/mol

Open in Covalent MOL file

Amide Aryl halide Ester

Properties

Molecular formula: C₉H₁₀Cl₂N₂O₃
Molar mass: 265.09 g/mol
Exact mass: 264.0068 Da
logP: 1.66Crippen estimate
Polar surface area: 68.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

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

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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

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

Elsewhere

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