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2D Structure
Also known as: 2-pyrazinecarboxylic acid, 98-97-5, Pyrazinoic acid, Pyrazinecarboxylic acid, Pyrazinic acid, Paradiazinecarboxylic acid
Molecular Formula
C5H4N2O2
Molecular Weight
124.10  g/mol
InChI Key
NIPZZXUFJPQHNH-UHFFFAOYSA-N
FDA UNII
2WB23298SP

Pyrazinic acid is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
pyrazine-2-carboxylic acid
2.1.2 InChI
InChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)
2.1.3 InChI Key
NIPZZXUFJPQHNH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CN=C(C=N1)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
2WB23298SP
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Pyrazinoate

2. Pyrazinoic Acid

2.3.2 Depositor-Supplied Synonyms

1. 2-pyrazinecarboxylic Acid

2. 98-97-5

3. Pyrazinoic Acid

4. Pyrazinecarboxylic Acid

5. Pyrazinic Acid

6. Paradiazinecarboxylic Acid

7. Pyrazinemonocarboxylic Acid

8. 2-carboxypyrazine

9. 2-pyrazine Carboxylic Acid

10. 2-pyrazinoic Acid

11. Piazinecarboxylic Acid

12. Pyrazine-2-carboxylicacid

13. Pyrazinoate

14. Pyrazine Carboxylic Acid

15. Mfcd00006130

16. Nsc 13146

17. Chembl613

18. Mls000069596

19. Chebi:71311

20. 2wb23298sp

21. Nsc13146

22. Nsc-13146

23. Smr000059041

24. 2-pyrazinecarboxylicacid

25. Pyrazinoicacid

26. Pyrazoic Acid

27. Unii-2wb23298sp

28. 2-pyrazinic Acid

29. Vgl

30. Einecs 202-718-1

31. 2-pyrazinecarboxylic

32. Pyrazine-carboxylic Acid

33. Opera_id_935

34. Pyrazin-2-carboxylic Acid

35. Pyrazine 2-carboxylic Acid

36. 2- Carboxylic Acid Pyrazine

37. Schembl23757

38. Pyrazinoic Acid [mi]

39. Pyrazinecarboxylic Acid, 99%

40. Nipzzxufjpqhnh-uhfffaoysa-

41. Dtxsid30243367

42. Hms2234j12

43. Hms3371f05

44. Act01760

45. Cs-m0892

46. Nsc27192

47. Str06281

48. Zinc1081066

49. Bdbm50216541

50. Cx1040

51. Nsc-27192

52. Stk802305

53. Akos000119670

54. Ac-2442

55. Pb27363

56. Ps-3389

57. Bp-30070

58. Sy001166

59. Db-025265

60. Am20070429

61. Ft-0631518

62. P0940

63. C19915

64. Pyrazinecarboxylic Acid, Purum, >=98.0% (t)

65. Pyrazinamide Related Compound A [usp-rs]

66. Ab-131/40186434

67. Q-101891

68. Q7263414

69. F2191-0112

70. Z256708940

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 124.10 g/mol
Molecular Formula C5H4N2O2
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass124.027277375 g/mol
Monoisotopic Mass124.027277375 g/mol
Topological Polar Surface Area63.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity116
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1