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Overview of CAS 54127-63-8

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4CH-013367
PharmaCompass
  • Chemistry
4CH-013367
Also known as: 54127-63-8, 3-chloro-2-hydroxypyridine-5-carboxylic acid, 5-chloro-6-hydroxypyridine-3-carboxylic acid, 5-chloro-6-hydroxy-3-pyridinecarboxylic acid, 5-chloro-6-hydroxynicotinicacid, 5-chloro-6-oxo-1h-pyridine-3-carboxylic acid
Molecular Formula
C6H4ClNO3
Molecular Weight
173.552  g/mol
InChI Key
OLTRUTPHSBQWAZ-UHFFFAOYSA-N

1 2D Structure

4CH-013367

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-chloro-6-oxo-1H-pyridine-3-carboxylic acid
2.1.2 InChI
InChI=1S/C6H4ClNO3/c7-4-1-3(6(10)11)2-8-5(4)9/h1-2H,(H,8,9)(H,10,11)
2.1.3 InChI Key
OLTRUTPHSBQWAZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(C(=O)NC=C1C(=O)O)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 54127-63-8

2. 3-chloro-2-hydroxypyridine-5-carboxylic Acid

3. 5-chloro-6-hydroxypyridine-3-carboxylic Acid

4. 5-chloro-6-hydroxy-3-pyridinecarboxylic Acid

5. 5-chloro-6-hydroxynicotinicacid

6. 5-chloro-6-oxo-1h-pyridine-3-carboxylic Acid

7. Oltrutphsbqwaz-uhfffaoysa-n

8. Mfcd00052950

9. Sbb003814

10. St081352

11. 3-pyridinecarboxylic Acid, 5-chloro-1,6-dihydro-6-oxo-

12. 5-chloro-6-oxo-1,6-dihydropyridine-3-carboxylic Acid

13. Mixcom3_000058

14. Pubchem10618

15. Ac1lcd2x

16. Maybridge1_008981

17. Acmc-1b1yw

18. Ac1q72zd

19. Ksc890i8t

20. Schembl199221

21. Ctk1h2435

22. Ctk7j0489

23. Dtxsid60344795

24. 5-chloro-6-hydroxynicotinoic Acid

25. Molport-001-761-318

26. Molport-004-285-337

27. 5-chloro-6-hydroxy Nicotinic Acid

28. Acn-s004227

29. Act02443

30. Ks-00000ck7

31. Str03877

32. Zinc8698117

33. Anw-31966

34. Cc-050

35. Cl0217

36. 2-hydroxy-3-chloro-5-carboxypyridine

37. Akos005257331

38. Akos023203854

39. Ab02225

40. Ac-3578

41. Cs-w002256

42. Mcule-6711530660

43. Rp02826

44. Rtr-019140

45. Vp10467

46. Tra-0178244

47. Aj-72554

48. Ak-26094

49. An-12848

50. Br-26094

51. Hc150294

52. Kb-42895

53. Sc-65280

54. Sy007567

55. Ts-02388

56. Ab0003530

57. Ab1000990

58. Db-003998

59. Kb-230791

60. St2411959

61. Tl8006956

62. Tr-019140

63. 4ch-013367

64. C1758

65. Ft-0640222

66. 3-chloro-2-hydroxy-5-carboxypyridine

67. 5-chloro-6-oxohydropyridine-3-carboxylic Acid

68. En300-50533

69. M-2743

70. 3-chloro-2-hydroxypyridine-5-carboxylic

71. J-517374

72. 5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic Acid

73. 3-pyridinecarboxylicacid, 5-chloro-1,6-dihydro-6-oxo-

74. F2191-0129

75. Z752370728

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 173.552 g/mol
Molecular Formula C6H4ClNO3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass172.988 g/mol
Monoisotopic Mass172.988 g/mol
Topological Polar Surface Area66.4 A^2
Heavy Atom Count11
Formal Charge0
Complexity280
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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