1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 2-[(5-chloropyridin-2-yl)amino]-2-oxoacetate;hydrochloride

2.1.2 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

2.1.3 InChI Key

AZWJPQKNPCTYCU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1243308-37-3

2. Ethanediamide Impurity C Hcl

3. Ethyl 2-[(5-chloropyridin-2-yl)amino]-2-oxoacetate;hydrochloride

4. Ethyl 2-((5-chloropyridin-2-yl)amino)-2-oxoacetate Hcl

5. Schembl616304

6. Bcp09599

7. Cs-m3402

8. Mfcd28502492

9. 2-((5-chloropyridin-2-yl)amino)2-oxoacetic Acid Ethyl Ester Monohydrochloride

10. 2-[(5-chloropyridin-2-yl)amino]-2-oxoacetate Ethyl Ester Monohydrochloride

11. Akos025287133

12. Ds-9233

13. Ac-33548

14. Ethyl 2-(5-methylpyridin-2-ylamino)-2-oxoacetate

15. Ethyl2-((5-chloropyridin-2-yl)amino)-2-oxoacetatehydrochloride

16. 2-[(5-chloropyridin-2-yl)amino]-2-oxoacetic Acid Ethyl Ester Monohydrochloride

17. Acetic Acid, 2-[(5-chloro-2-pyridinyl)amino]-2-oxo-, Ethyl Ester, Hydrochloride (1:1)

18. Acetic Acid, 2-[(5-chloro-2-pyridinyl)amino]-2-oxo-,ethyl Ester, Hydrochloride (1:1)

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀Cl₂N₂O₃
Molecular Weight	265.09 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	264.0068476 g/mol
Monoisotopic Mass	264.0068476 g/mol
Topological Polar Surface Area	68.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	248
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

CAS 1243308-37-3