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    CAS 6635-31-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Refchem:543413, 625-303-0, 6-hydroxy-5-nitronicotinic acid, 6635-31-0, 5-nitro-6-oxo-1h-pyridine-3-carboxylic acid, Mfcd02180840
    Molecular Formula
    C6H4N2O5
    Molecular Weight
    184.11  g/mol
    InChI Key
    VJMXJGVEVASJOD-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-nitro-6-oxo-1H-pyridine-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C6H4N2O5/c9-5-4(8(12)13)1-3(2-7-5)6(10)11/h1-2H,(H,7,9)(H,10,11)
    2.1.3 InChI Key
    VJMXJGVEVASJOD-UHFFFAOYSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Refchem:543413

    2. 625-303-0

    3. 6-hydroxy-5-nitronicotinic Acid

    4. 6635-31-0

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

    6. Mfcd02180840

    7. 5-nitro-6-oxo-1,6-dihydropyridine-3-carboxylic Acid

    8. 5-nitro-6-oxo-1,6-dihydro-pyridine-3-carboxylic Acid

    9. F2147-0229

    10. 6-hydroxy-5-nitronicotinicacid

    11. 6-hydroxy-5-nitro-pyridine-3-carboxylic Acid

    12. 6-hydroxy-5-nitro-nicotinic Acid

    13. Nsc52204

    14. 3-pyridinecarboxylic Acid, 1,6-dihydro-5-nitro-6-oxo-

    15. 6-hydroxy-5-nitro Nicotinic Acid

    16. 6hydroxy-5-nitronicotinic Acid

    17. Schembl2637045

    18. Schembl4912309

    19. 5-nitro-6-hydroxynicotinic Acid

    20. Dtxsid70287689

    21. Vjmxjgvevasjod-uhfffaoysa-n

    22. Smssf-0017630

    23. Cx1103

    24. Nsc-52204

    25. Sbb068805

    26. Akos000265228

    27. Akos005255267

    28. Cs-w002917

    29. Fh33652

    30. Gs-6144

    31. Sb12054

    32. 5-nitro-6-oxo-1,6-dihydronicotinic Acid

    33. Ac-24948

    34. Sy006707

    35. Db-029304

    36. 6-hydroxy-5-nitro-3-pyridinecarboxylic Acid

    37. H1410

    38. En300-139034

    39. F046501

    40. 6-hydroxy-5-nitropyridine-3-carboxylic Acid, 97%

    41. 5-nitro-6-oxo-1,6-dihydro-3-pyridinecarboxylic Acid

    42. Z1198171772

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 184.11 g/mol
    Molecular Formula C6H4N2O5
    XLogP3-0.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area112
    Heavy Atom Count13
    Formal Charge0
    Complexity349
    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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