1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-bromo-2-oxo-1H-pyrazine-3-carboxamide

2.1.2 InChI

InChI=1S/C5H4BrN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11)

2.1.3 InChI Key

KZBREXQQUFIWKD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(N=C(C(=O)N1)C(=O)N)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 259793-88-9

2. 5-bromo-2-oxo-1h-pyrazine-3-carboxamide

3. Mfcd20528005

4. Schembl1337909

5. Chembl4164322

6. Dtxsid30430790

7. 6-bromo-3-hydroxy-2-carboxamide

8. Amy25052

9. Bcp32172

10. Cs-m1515

11. Zinc33961890

12. Akos016004601

13. 3-hydroxy-6-bromopyrazine-2-carboxamide

14. 6-bromo-3-hydroxy-2-pyrazinecarboxamide

15. Ds-16928

16. Sy102916

17. 6-bromo-3-hydroxypyrazine-2-carboxylic Acid Amide

18. A854201

19. 6-bromo-3-hydroxypyrazine-2-carboxamide(ksm Precursor)

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₅H₄BrN₃O₂
Molecular Weight	218.01 g/mol
XLogP3	0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	216.94869 g/mol
Monoisotopic Mass	216.94869 g/mol
Topological Polar Surface Area	84.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	282
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

CAS 259793-88-9