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    CAS 6966-01-4

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 6966-01-4, Mfcd00834964, 2-amino-5-bromopyrazine-3-carboxylic acid methyl ester, 3-amino-6-bromo-pyrazine-2-carboxylic acid methyl ester, Pyrazinecarboxylic acid, 3-amino-6-bromo-, methyl ester, 3-amino-6-bromopyrazine-2-carboxylic acid methyl ester
    Molecular Formula
    C6H6BrN3O2
    Molecular Weight
    232.03  g/mol
    InChI Key
    CNXSIRHOIFRMOB-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 3-amino-6-bromopyrazine-2-carboxylate
    2.1.2 InChI
    InChI=1S/C6H6BrN3O2/c1-12-6(11)4-5(8)9-2-3(7)10-4/h2H,1H3,(H2,8,9)
    2.1.3 InChI Key
    CNXSIRHOIFRMOB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C1=NC(=CN=C1N)Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 6966-01-4

    2. Mfcd00834964

    3. 2-amino-5-bromopyrazine-3-carboxylic Acid Methyl Ester

    4. 3-amino-6-bromo-pyrazine-2-carboxylic Acid Methyl Ester

    5. Pyrazinecarboxylic Acid, 3-amino-6-bromo-, Methyl Ester

    6. 3-amino-6-bromopyrazine-2-carboxylic Acid Methyl Ester

    7. Methyl 3-amino-6-bromo-2-pyrazinecarboxylate

    8. Methyl 6-bromo-3-amino-2-pyrazinecarboxylate

    9. 5-amino-2-bromo-6-pyrazinecarboxylic Acidmethyl Ester

    10. Nsc18700

    11. Methyl3-amino-6-bromopyrazine-2-carboxylate

    12. Methyl 3-amino-6-bromo-pyrazine-2-carboxylate

    13. Schembl261742

    14. Ampz0006

    15. Dtxsid90280793

    16. Zinc715672

    17. Bcp03878

    18. Nsc-18700

    19. Akos005257765

    20. As-2042

    21. Bcp9000911

    22. Cs-w002702

    23. Pb33922

    24. 3-amino-6-bromo-2-carbomethoxypyrazine

    25. Ac-23714

    26. Sy011042

    27. 2-amino-3-methoxycarbonyl-5-bromopyrazine

    28. Methyl-3-amino-6-bromopyrazine Carboxylate

    29. Db-014190

    30. Ds-017528

    31. Methyl 3-amino-6bromo-2-pyrazinecarboxylate

    32. Am20070383

    33. C2863

    34. Ft-0602072

    35. M2655

    36. Methy 3-amino-6-bromopyrazine-2-carboxylate

    37. Methyl 3-amino-6-bromo-2-pyrazine-carboxylate

    38. 966m014

    39. Ac-907/34126020

    40. Methyl 3-amino-6-bromopyrazine-2-carboxylate, 95%

    41. Methyl 3-amino-6-bromopyrazine-2-carboxylic Ester

    42. Q-103342

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 232.03 g/mol
    Molecular Formula C6H6BrN3O2
    XLogP31.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass230.96434 g/mol
    Monoisotopic Mass230.96434 g/mol
    Topological Polar Surface Area78.1 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity178
    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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