Ethyl 2-(3-Chloro-2-pyridinyl)-5-oxo-3-pyrazolidinecarboxylate

C11H12ClN3O3CAS 500011-88-1269.69 g/mol

Open in Covalent MOL file
OOONHNNCl
Aryl halideEsterHydrazoneTertiary amine

Properties

Molecular formula
C11H12ClN3O3
Molar mass
269.69 g/mol
Exact mass
269.0567 Da
Melting point
132–134 °C
logP
1.75Crippen estimate
Polar surface area
75.0 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
3

Hazards

Environmental Hazard (GHS09)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number
500011-88-1
SMILES
CCOC(=O)C1CC(O)=NN1c1ncccc1Cl
InChIKey
GWGIBEMOOVJUPI-UHFFFAOYSA-N
InChI
InChI=1S/C11H12ClN3O3/c1-2-18-11(17)8-6-9(16)14-15(8)10-7(12)4-3-5-13-10/h3-5,8H,2,6H2,1H3,(H,14,16)

Weigh it out

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Names and synonyms

3 names
  • 3-Pyrazolidinecarboxylic acid, 2-(3-chloro-2-pyridinyl)-5-oxo-, ethyl ester
  • Ethyl 1-(3-chloro-2-pyridinyl)-3-pyrazolidinone-5-carboxylate
  • Ethyl 2-(3-chloro-2-pyridyl)-5-oxopyrazolidine-3-carboxylate

Work with Ethyl 2-(3-Chloro-2-pyridinyl)-5-oxo-3-pyrazolidinecarboxylate

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

Similar compounds

Ethyl 3-Bromo-1-(3-chloro-2-pyridinyl)-4,5-dihydro-1H-pyrazole-5-carboxylate500011-91-675 % similar 5-Chloro-6-(4-(ethoxycarbonyl)-1-piperidinyl)-3-pyridinecarboxylic acid931395-73-240 % similar Ethyl chloronicotinate1452-94-437 % similar 3-Chloropyridine-2-carboxylic acid57266-69-036 % similar Ethyl α-chlorobenzeneacetate4773-33-534 % similar 4-(3-Chloropyridin-2-yl)morpholine54231-36-634 % similar Ethyl o-chlorobenzoate7335-25-334 % similar 3-Aminopyridine-2-carboxylic acid ethyl ester27507-15-934 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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