CAS 349125-08-2

1 2D Structure

CAS 349125-08-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 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)

2.1.3 InChI Key

LSQWUGYWDZRKNW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 349125-08-2

2. Ethyl 2-(5-chloropyridin-2-ylamino)-2-oxoacetate

3. N-(5-chloropyridin-2-yl)oxalamic Acid Ethyl Ester

4. N-(5-chloro-pyridin-2-yl)-oxalamic Acid Ethyl Ester

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

6. Ethyl 2-[(5-chloro-2-pyridyl)amino]-2-oxoacetate

7. Schembl4687835

8. Acetic Acid, [(5-chloro-2-pyridinyl)amino]oxo-, Ethyl Ester

9. Zinc2064690

10. Zna12508

11. Mfcd02226052

12. Akos000644310

13. As-30123

14. Cs-0092721

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

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

2.3 Create Date

2005-07-12

3 Chemical and Physical Properties

Molecular Formula	C₉H₉ClN₂O₃
Molecular Weight	228.63 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	228.0301698 g/mol
Monoisotopic Mass	228.0301698 g/mol
Topological Polar Surface Area	68.3 Å²
Heavy Atom Count	15
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	1

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