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Chemistry

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Also known as: 5006-66-6, 6-hydroxypyridine-3-carboxylic acid, 2-hydroxy-5-pyridinecarboxylic acid, 6-hydroxy nicotinic acid, 2-pyridone-5-carboxylic acid, 2-hydroxypyridine-5-carboxylic acid
Molecular Formula
C6H5NO3
Molecular Weight
139.11  g/mol
InChI Key
BLHCMGRVFXRYRN-UHFFFAOYSA-N
FDA UNII
8PLJ71N310

CAS 5006-66-6
6-hydroxynicotinic acid is a natural product found in Arabidopsis thaliana with data available.
1 2D Structure

CAS 5006-66-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-oxo-1H-pyridine-3-carboxylic acid
2.1.2 InChI
InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)
2.1.3 InChI Key
BLHCMGRVFXRYRN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=O)NC=C1C(=O)O
2.2 Other Identifiers
2.2.1 UNII
8PLJ71N310
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 5006-66-6

2. 6-hydroxypyridine-3-carboxylic Acid

3. 2-hydroxy-5-pyridinecarboxylic Acid

4. 6-hydroxy Nicotinic Acid

5. 2-pyridone-5-carboxylic Acid

6. 2-hydroxypyridine-5-carboxylic Acid

7. 6-oxo-1,6-dihydropyridine-3-carboxylic Acid

8. 6-hydroxynicotinate

9. 6-hydroxy-nicotinic Acid

10. 3-pyridinecarboxylic Acid, 1,6-dihydro-6-oxo-

11. 6-hydroxyniacin

12. 6-oxo-1h-pyridine-3-carboxylic Acid

13. 1,6-dihydro-6-oxo-3-pyridinecarboxylic Acid

14. Nicotinic Acid, 1,6-dihydro-6-oxo-

15. Nicotinic Acid-6-hydroxy

16. Mfcd00006277

17. Chebi:16168

18. 8plj71n310

19. Nsc-8620

20. 6-hydroxy-3-pyridinecarboxylic Acid

21. Nsc-35054

22. Nsc-53377

23. 15864-85-4

24. Nicotinic Acid,6-dihydro-6-oxo-

25. 6-oxonicotinic Acid

26. 3-pyridinecarboxylic Acid,6-dihydro-6-oxo-

27. Unii-8plj71n310

28. Nsc 8620

29. Einecs 225-682-9

30. Nsc 35054

31. Nsc 53377

32. 5-carboxy-2-pyridone

33. 6-hydroxynicotinic-acid

34. 6-hydroxynicotinoic Acid

35. Ai3-52404

36. 6-oxo-1,6-dihydro-3-pyridinecarboxylic Acid

37. Bmse000341

38. 2-hydroxy-5-carboxypyridine

39. Dsstox_cid_31543

40. Dsstox_rid_97428

41. Dsstox_gsid_57754

42. Oprea1_846558

43. Chembl95293

44. Schembl185991

45. Dtxsid0057754

46. Nsc8620

47. Pyridin-2-one-5-carboxylic Acid

48. 1,6-dihydro-6-oxo-nicotinic Acid

49. 2-hydroxy 5-pyridinecarboxylic Acid

50. Act07066

51. Nsc35054

52. Nsc53377

53. Zinc8576188

54. Tox21_113747

55. Bbl001444

56. Cx1100

57. Mfcd00229359

58. S6285

59. Stk687617

60. Stk803141

61. 2-hydroxy 5-pyridine Carboxylic Acid

62. 2-hydroxy-5-pyridine Carboxylic Acid

63. 6-hydroxy-pyridine-3-carboxylic Acid

64. Akos000120093

65. Akos000319907

66. 3-pyridinecarboxylic Acid, 6-hydroxy-

67. Ac-1470

68. Bs-3788

69. Cs-w001996

70. Hy-w001996

71. Pb17040

72. Ncgc00253617-01

73. 6-hydroxynicotinic Acid [usp-rs]

74. Sy004348

75. 6-hydroxypyridine-3-carboxylic Acid, 98%

76. Cas-5006-66-6

77. Db-009076

78. 6-oxo-1,6-dihydropyridin-3-carboxylic Acid

79. Am20061258

80. Ft-0621169

81. Ft-0653628

82. Ft-0659077

83. H0633

84. Nicotinic Acid, 1,6-dihydro-6-oxo- (8ci)

85. 06h666

86. C01020

87. P10104

88. 6-oxo-1,6-dihydro-3-pyridinecarboxylic Acid #

89. Sr-01000945209

90. J-518800

91. Sr-01000945209-1

92. W-105987

93. Q27098413

94. 6-hydroxypyridine-3-carboxylic Acid, Analytical Standard

95. B2f6eee5-0370-41fb-b64f-dae3fd083896

96. F2124-1179

97. F2190-0003

98. 6-hydroxynicotinic Acid, United States Pharmacopeia (usp) Reference Standard

99. Oa7

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 139.11 g/mol
Molecular Formula C6H5NO3
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass139.026943022 g/mol
Monoisotopic Mass139.026943022 g/mol
Topological Polar Surface Area66.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity239
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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