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    CAS 5006-66-6

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    • Chemistry
    CAS 5006-66-6
    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 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
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