CAS 43200-82-4

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Also known as: 43200-82-4, 6-(5-chloropyridin-2-yl)-5h-pyrrolo[3,4-b]pyrazine-5,7(6h)-dione, 6-(5-chloropyridin-2-yl)pyrrolo[3,4-b]pyrazine-5,7-dione, 6-(5-chloro-2-pyridyl)-5h-pyrrolo(3,4-b)pyrazine-5,7(6h)-dione, 5h-pyrrolo[3,4-b]pyrazine-5,7(6h)-dione, 6-(5-chloro-2-pyridinyl)-, Einecs 256-141-5

Molecular Formula

C₁₁H₅ClN₄O₂

Molecular Weight

260.63 g/mol

InChI Key

FFXYIKCDZBXDNR-UHFFFAOYSA-N

1 2D Structure

CAS 43200-82-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-(5-chloropyridin-2-yl)pyrrolo[3,4-b]pyrazine-5,7-dione

2.1.2 InChI

InChI=1S/C11H5ClN4O2/c12-6-1-2-7(15-5-6)16-10(17)8-9(11(16)18)14-4-3-13-8/h1-5H

2.1.3 InChI Key

FFXYIKCDZBXDNR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=NC=C1Cl)N2C(=O)C3=NC=CN=C3C2=O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 43200-82-4

2. 6-(5-chloropyridin-2-yl)-5h-pyrrolo[3,4-b]pyrazine-5,7(6h)-dione

3. 6-(5-chloropyridin-2-yl)pyrrolo[3,4-b]pyrazine-5,7-dione

4. 6-(5-chloro-2-pyridyl)-5h-pyrrolo(3,4-b)pyrazine-5,7(6h)-dione

5. 5h-pyrrolo[3,4-b]pyrazine-5,7(6h)-dione, 6-(5-chloro-2-pyridinyl)-

6. Einecs 256-141-5

7. 6-(5-chloropyridin-2-yl)- 6,7-dihydro-5h-pyrrolo[3,4-b]pyrazin-5,7-dione

8. Schembl2990476

9. Dtxsid20195785

10. Bcp08879

11. Mfcd00298149

12. Zinc16948424

13. Akos015909566

14. Ac-7876

15. As-17505

16. Cs-0332295

17. Ft-0654186

18. D78029

19. 200c824

20. A826217

21. J-518035

22. 6-(5-chloro-2-pyridinyl)-5h-pyrrolo[3,4-b]pyrazine-5,7(6h)-dione

23. 6-(5-chloropyrid-2-yl)-5,7-dioxo-5,6-dihydropyrrolo[3,4-b] Pyrazine

24. 6-(5-chloropyrid-2-yl)-5,7-dioxo-5,6-dihydropyrrolo[3,4-b]pyrazine

25. 6-(5-chloropyridin-2-yl)-5,7-dioxo-5,6-dihydropyrrolo-[3,4-b]-pyrazine

26. 6-(5-chloro-2-pyridyl)pyrrolo[3,4-b]pyrazine-5,7-dione;6-(5-chloro-2-pyridyl)-5h-pyrrolo[3,4-b]pyrazine-5,7(6h)-dione

2.3 Create Date

2006-04-29

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₅ClN₄O₂
Molecular Weight	260.63 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	76
Heavy Atom Count	18
Formal Charge	0
Complexity	354
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