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    CAS 5521-55-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 5521-55-1, 5-methyl-2-pyrazinecarboxylic acid, 2-methylpyrazine-5-carboxylic acid, Pyrazinecarboxylic acid, 5-methyl-, 5-methyl-pyrazine-2-carboxylic acid, Unii-b861rs5nhi
    Molecular Formula
    C6H6N2O2
    Molecular Weight
    138.12  g/mol
    InChI Key
    RBYJWCRKFLGNDB-UHFFFAOYSA-N
    FDA UNII
    B861RS5NHI
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-methylpyrazine-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C6H6N2O2/c1-4-2-8-5(3-7-4)6(9)10/h2-3H,1H3,(H,9,10)
    2.1.3 InChI Key
    RBYJWCRKFLGNDB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CN=C(C=N1)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    B861RS5NHI
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 5521-55-1

    2. 5-methyl-2-pyrazinecarboxylic Acid

    3. 2-methylpyrazine-5-carboxylic Acid

    4. Pyrazinecarboxylic Acid, 5-methyl-

    5. 5-methyl-pyrazine-2-carboxylic Acid

    6. Unii-b861rs5nhi

    7. Mfcd00068241

    8. 5-methyl Pyrazine-2-carboxylic Acid

    9. B861rs5nhi

    10. 5-methylpyrazinecarboxylic Acid

    11. 2-carboxy-5-methylpyrazine

    12. Ec 413-260-9

    13. 2-methyl-5-pyrazinoic Acid

    14. Schembl89539

    15. Ampz0023

    16. Chembl126651

    17. Rbyjwcrkflgndb-uhfffaoysa-

    18. 5-methyl Pyrazine Carboxylic Acid

    19. Dtxsid10203707

    20. 5-methylpyrazine-2-carboxylicacid

    21. Bdbm236555

    22. 5-methylpyrazine 2-carboxylic Acid

    23. 6-methyl-3-pyrazinecarboxylic Acid

    24. Paritaprevir Metabolite M13

    25. 5-methyl-2-pyrazinoic Acid

    26. Bcp04707

    27. Zinc1320164

    28. 2-methyl-5-pyrazine Carboxylic Acid

    29. 5-methyl-2-pyrazine Carboxylic Acid

    30. Ac-623

    31. 2-pyrazinecarboxylic Acid, 5-methyl-

    32. 5-methyl-2-pyrazinecarboxylic Acid #

    33. Akos000119524

    34. Pb12995

    35. Ps-4584

    36. 5-methylpyrazine Carboxylic Acid

    37. Ncgc00167497-02

    38. Ncgc00167497-03

    39. Sy003142

    40. 2-methylpyrazine-5-carboxylic Acid, 98%

    41. 5-methyl-2-pyrazinecarboxylic Acid, 98%

    42. Db-025268

    43. Am20070362

    44. Cs-0007012

    45. Ft-0613075

    46. M1003

    47. Ab01330432-02

    48. 521m551

    49. Sr-01000944796

    50. J-522629

    51. Q-103327

    52. Sr-01000944796-1

    53. Q27274494

    54. F2191-0074

    55. Z262221804

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 138.12 g/mol
    Molecular Formula C6H6N2O2
    XLogP30.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass138.042927438 g/mol
    Monoisotopic Mass138.042927438 g/mol
    Topological Polar Surface Area63.1 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity138
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1