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    39856-50-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 39856-50-3, 2-nitro-5-bromopyridine, 2-nitro-5-bromo pyridine, Pyridine, 5-bromo-2-nitro-, Mfcd00160411, Ec 609-748-8
    Molecular Formula
    C5H3BrN2O2
    Molecular Weight
    202.99  g/mol
    InChI Key
    ATXXLNCPVSUCNK-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-bromo-2-nitropyridine
    2.1.2 InChI
    InChI=1S/C5H3BrN2O2/c6-4-1-2-5(7-3-4)8(9)10/h1-3H
    2.1.3 InChI Key
    ATXXLNCPVSUCNK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=NC=C1Br)[N+](=O)[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 39856-50-3

    2. 2-nitro-5-bromopyridine

    3. 2-nitro-5-bromo Pyridine

    4. Pyridine, 5-bromo-2-nitro-

    5. Mfcd00160411

    6. Ec 609-748-8

    7. 5-bromo-2-nitro-pyridine

    8. 5-bromo2-nitropyridine

    9. 5-bromo-2-nitropyridin

    10. 3-bromo-6-nitro Pyridine

    11. 5-bromo-2-nitro Pyridine

    12. Schembl135841

    13. Schembl2664539

    14. 5-bromo-2-nitropyridine, 99%

    15. Dtxsid20355827

    16. Bcp21637

    17. Cs-d1019

    18. Str06165

    19. Akos000267008

    20. Ab04221

    21. Ac-3148

    22. Ps-5166

    23. Bp-13029

    24. Hy-59228

    25. Sy004047

    26. A6651

    27. Am20051151

    28. Ft-0602431

    29. Ft-0620109

    30. En300-80262

    31. Ac-907/25014032

    32. J-400310

    33. Z361899954

    2.3 Create Date
    2005-07-08
    3 Chemical and Physical Properties
    Molecular Weight 202.99 g/mol
    Molecular Formula C5H3BrN2O2
    XLogP31.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area58.7
    Heavy Atom Count10
    Formal Charge0
    Complexity136
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1