CAS-5006-66-6

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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

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 Formula	C₆H₅NO₃
Molecular Weight	139.11 g/mol
XLogP3	-0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	139.026943022 g/mol
Monoisotopic Mass	139.026943022 g/mol
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	239
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

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