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    138-60-3

    BUILDING BLOCK

    PharmaCompass
    Xls

    Filters

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    2D Structure
    Also known as: 4-hydroxypyridine-2,6-dicarboxylic acid, 138-60-3, 499-51-4, 4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid, 4-oxo-1h-pyridine-2,6-dicarboxylic acid, Chelidamic acid hydrate
    Molecular Formula
    C7H5NO5
    Molecular Weight
    183.12  g/mol
    InChI Key
    XTLJJHGQACAZMS-UHFFFAOYSA-N
    FDA UNII
    1A59BH8SXE
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-oxo-1H-pyridine-2,6-dicarboxylic acid
    2.1.2 InChI
    InChI=1S/C7H5NO5/c9-3-1-4(6(10)11)8-5(2-3)7(12)13/h1-2H,(H,8,9)(H,10,11)(H,12,13)
    2.1.3 InChI Key
    XTLJJHGQACAZMS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(NC(=CC1=O)C(=O)O)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    1A59BH8SXE
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 4-hydroxypyridine-2,6-dicarboxylic Acid

    2. 138-60-3

    3. 499-51-4

    4. 4-oxo-1,4-dihydropyridine-2,6-dicarboxylic Acid

    5. 4-oxo-1h-pyridine-2,6-dicarboxylic Acid

    6. Chelidamic Acid Hydrate

    7. 2,6-pyridinedicarboxylic Acid, 1,4-dihydro-4-oxo-

    8. Helidaminic Acid

    9. 4-hydroxy-2,6-pyridinedicarboxylic Acid

    10. 1a59bh8sxe

    11. Chembl252909

    12. 1,4-dihydro-4-oxopyridine-2,6-dicarboxylic Acid

    13. Nsc-3983

    14. Mfcd00066478

    15. 2,6-pyridinedicarboxylic Acid, 4-hydroxy-

    16. 4-chloro-alpha,alpha-diphenyl-benzenemethanol; (p-chlorophenyl)diphenyl-methanol; 4-chloro-alpha,alpha-diphenylbenzenemethanol; 4-chlorophenyl)diphenylcarbinol; Nsc 20739

    17. Nsc 3983

    18. Einecs 205-335-8

    19. Lopac-c-8011

    20. Unii-1a59bh8sxe

    21. Chelidamic Acid, Aldrichcpr

    22. 1,4-dihydro-4-oxo-2,6-pyridinedicarboxylic Acid

    23. 4-oxo-1,4-dihydro-2,6-pyridinedicarboxylic Acid

    24. Lopac0_000298

    25. Mls000042771

    26. Schembl742928

    27. 2, 1,4-dihydro-4-oxo-

    28. Dtxsid00160451

    29. Nsc3983

    30. Hms2439a21

    31. Hms3260l18

    32. Amy13329

    33. Tox21_500298

    34. Bbl028110

    35. Bdbm50229870

    36. Stk793046

    37. Stl259705

    38. Pyridine, 2,6-dicarboxy-4-hydroxy-

    39. Akos000279986

    40. Akos003233475

    41. 4-hydroxypyridine-2,6-dicarboxylicacid

    42. Ccg-204393

    43. Cs-w017065

    44. Ds-1684

    45. Hy-w016349

    46. Lp00298

    47. Sdccgsbi-0050286.p002

    48. Ncgc00015270-01

    49. Ncgc00015270-02

    50. Ncgc00015270-03

    51. Ncgc00015270-04

    52. Ncgc00015270-05

    53. Ncgc00093748-01

    54. Ncgc00093748-02

    55. Ncgc00260983-01

    56. Bp-12395

    57. Smr000036248

    58. Sy246016

    59. Db-012857

    60. Db-082252

    61. C0821

    62. Cs-0166907

    63. Eu-0100298

    64. Ns00041610

    65. En300-95632

    66. A18191

    67. C 8011

    68. A827903

    69. Ac-907/25014159

    70. Sr-01000075782

    71. 4-oxo-1,4-dihydro-2,6-pyridinedicarboxylic Acid #

    72. J-400830

    73. J-515530

    74. Q2667856

    75. Sr-01000075782-1

    76. Z2900188067

    77. Chelidamic Acid (4-hydroxypyridine-2,6-dicarboxylic Acid)

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 183.12 g/mol
    Molecular Formula C7H5NO5
    XLogP3-0.4
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area104
    Heavy Atom Count13
    Formal Charge0
    Complexity320
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1