5-Fluoroorotic Acid

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Also known as: 703-95-7, 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, 5-fluoroorotate, Fluoroorotic acid, Orotic acid, 5-fluoro-, 5-foa

Molecular Formula

C₅H₃FN₂O₄

Molecular Weight

174.09 g/mol

InChI Key

SEHFUALWMUWDKS-UHFFFAOYSA-N

FDA UNII

7IA9OUC93E

1 2D Structure

5-Fluoroorotic Acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

2.1.2 InChI

InChI=1S/C5H3FN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)

2.1.3 InChI Key

SEHFUALWMUWDKS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1(=C(NC(=O)NC1=O)C(=O)O)F

2.2 Other Identifiers

2.2.1 UNII

7IA9OUC93E

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Fluoroorotic Acid

2.3.2 Depositor-Supplied Synonyms

1. 703-95-7

2. 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic Acid

3. 5-fluoroorotate

4. Fluoroorotic Acid

5. Orotic Acid, 5-fluoro-

6. 5-foa

7. Ent-26398

8. Nsc 31712

9. Ro 2-9945

10. Wr 152520

11. 5-fluoro-2,4-dioxo-1h-pyrimidine-6-carboxylic Acid

12. 4-pyrimidinecarboxylic Acid, 5-fluoro-1,2,3,6-tetrahydro-2,6-dioxo-

13. Mls000737636

14. 7ia9ouc93e

15. Fluoroorotic Acid, Ultra Pure

16. Foa

17. 5-fluorouracil-6-carboxylic Acid

18. 1,2,3,6-tetrahydro-2,6-dioxo-5-fluoro-4-pyrimidinecarboxylic Acid

19. Mfcd00042526

20. Nsc-31712

21. Smr000393806

22. 5-fluoro-1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic Acid

23. 4-pyrimidinecarboxylic Acid, 1,2,3,6-tetrahydro-2,6-dioxo-5-fluoro-

24. 5-fluorouracil-4-carboxylic Acid

25. 5-fluoroorotic Acid (van)

26. Einecs 211-876-0

27. Unii-7ia9ouc93e

28. Ai3-26398

29. Orotic Acid, 5-fluoro- (van)

30. Fot

31. 5-fluoro-orotic Acid

32. 5-fluoroorotic Acid;5-foa

33. Schembl44527

34. Wln: T6vmvmj Evq Ff

35. Cid_69711

36. Fluoroorotic Acid, 5-

37. Chembl1232805

38. Bdbm47470

39. 5-fluoro-6-carboxyuracil

40. 5-fluoroorotic Acid, 98.0%+

41. Dtxsid90220573

42. 5-fluoroorotic Acid [mi]

43. Hms2759g19

44. Act03077

45. Nsc31712

46. Zinc1663959

47. S9873

48. Akos005207200

49. Cs-w017535

50. Hy-w016819

51. Sb57260

52. 4-pyrimidinecarboxylic Acid, 5-fluoro-1,2,3,6-tetrahydro-2,6-dioxo-, Monohydrate

53. Ncgc00246927-01

54. Ac-10068

55. As-14168

56. Sy001827

57. Ro-2-9945

58. Wr-152520

59. F0382

60. Ft-0620427

61. F-6300

62. 703f957

63. 5-fluoro-2,4-diketo-1h-pyrimidine-6-carboxylic Acid

64. Q18207160

65. 1,3,6-tetrahydro-2,6-dioxo-5-fluoro-4-pyrimidinecarboxylic Acid

66. 4-pyrimidinecarboxylic Acid,2,3,6-tetrahydro-2,6-dioxo-5-fluoro-

67. 5-fluoranyl-2,4-bis(oxidanylidene)-1h-pyrimidine-6-carboxylic Acid

68. 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic Acid

69. 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylicacid

70. 4-pyrimidinecarboxylic Acid,5-fluoro-1,2,3,6-tetrahydro-2,6-dioxo-

71. 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic Acid

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₅H₃FN₂O₄
Molecular Weight	174.09 g/mol
XLogP3	-0.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	174.00768474 g/mol
Monoisotopic Mass	174.00768474 g/mol
Topological Polar Surface Area	95.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	309
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