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    CAS 97483-77-7

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    CAS 97483-77-7
    Also known as: 97483-77-7, 5-bromopicolinonitrile, 5-bromo-2-pyridinecarbonitrile, 5-bromopyridine-2-carbonitrile, 2-cyano-5-bromopyridine, 2-pyridinecarbonitrile, 5-bromo-
    Molecular Formula
    C6H3BrN2
    Molecular Weight
    183.01  g/mol
    InChI Key
    DMSHUVBQFSNBBL-UHFFFAOYSA-N
    1 2D Structure

    CAS 97483-77-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-bromopyridine-2-carbonitrile
    2.1.2 InChI
    InChI=1S/C6H3BrN2/c7-5-1-2-6(3-8)9-4-5/h1-2,4H
    2.1.3 InChI Key
    DMSHUVBQFSNBBL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=NC=C1Br)C#N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 97483-77-7

    2. 5-bromopicolinonitrile

    3. 5-bromo-2-pyridinecarbonitrile

    4. 5-bromopyridine-2-carbonitrile

    5. 2-cyano-5-bromopyridine

    6. 2-pyridinecarbonitrile, 5-bromo-

    7. 3-bromo-6-pyridinecarbonitrile

    8. Mfcd00234144

    9. 5-bromo-pyridine-2-carbonitrile

    10. Torezolid Impurity 13;5-bromo-2-cyanopyridine

    11. Tedizolid Intermediates

    12. 2-cyano-5-bromopyridin

    13. 5-bromo 2-cyanopyridine

    14. 2-cyano-5-bromo Pyridine

    15. 5-bromo-2-cyano-pyridine

    16. 3-bromo-6-cyano-pyridine

    17. 5-bromopyridin-2-carbonitrile

    18. Schembl156136

    19. 5-bromo-pyridin-2-carbonitrile

    20. Dtxsid50355754

    21. Zinc330869

    22. Act01653

    23. Bcp00485

    24. 5-bromo-2-pyridinecarbonitrile, 97%

    25. Akos005255266

    26. Ac-1451

    27. Cs-w007647

    28. Fs-2358

    29. Pb21694

    30. Bp-10709

    31. Sy003393

    32. Db-024305

    33. Am20061648

    34. B3610

    35. Ft-0602317

    36. 483b777

    37. Ac-907/25004485

    38. Q-101263

    39. 5-bromopicolinonitrile; 5-bromo-2-pyridinecarbonitrile

    40. 5-bromopyridine-2-carbonitrile;5-bromo-2-cyanopyridine

    2.3 Create Date
    2005-07-08
    3 Chemical and Physical Properties
    Molecular Weight 183.01 g/mol
    Molecular Formula C6H3BrN2
    XLogP31.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass181.94796 g/mol
    Monoisotopic Mass181.94796 g/mol
    Topological Polar Surface Area36.7 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity137
    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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