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Also known as: 259793-88-9, 5-bromo-2-oxo-1h-pyrazine-3-carboxamide, Mfcd20528005, Schembl1337909, Chembl4164322, Dtxsid30430790
Molecular Formula
C5H4BrN3O2
Molecular Weight
218.01  g/mol
InChI Key
KZBREXQQUFIWKD-UHFFFAOYSA-N

CAS 259793-88-9
1 2D Structure

CAS 259793-88-9

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 Weight 218.01 g/mol
Molecular Formula C5H4BrN3O2
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass216.94869 g/mol
Monoisotopic Mass216.94869 g/mol
Topological Polar Surface Area84.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity282
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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