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    CAS 37699-43-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 37699-43-7, 2,3-dimethyl-4-nitropyridine-n-oxide, 2,3-dimethyl-4-nitropyridine n-oxide, 4-nitro-2,3-lutidine-n-oxide, Pyridine, 2,3-dimethyl-4-nitro-, 1-oxide, 4-nitro-2,3-lutidine n-oxide
    Molecular Formula
    C7H8N2O3
    Molecular Weight
    168.15  g/mol
    InChI Key
    CFMTVTYBZMKULI-UHFFFAOYSA-N
    FDA UNII
    V7T97WM6BA
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,3-dimethyl-4-nitro-1-oxidopyridin-1-ium
    2.1.2 InChI
    InChI=1S/C7H8N2O3/c1-5-6(2)8(10)4-3-7(5)9(11)12/h3-4H,1-2H3
    2.1.3 InChI Key
    CFMTVTYBZMKULI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=C[N+](=C1C)[O-])[N+](=O)[O-]
    2.2 Other Identifiers
    2.2.1 UNII
    V7T97WM6BA
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 37699-43-7

    2. 2,3-dimethyl-4-nitropyridine-n-oxide

    3. 2,3-dimethyl-4-nitropyridine N-oxide

    4. 4-nitro-2,3-lutidine-n-oxide

    5. Pyridine, 2,3-dimethyl-4-nitro-, 1-oxide

    6. 4-nitro-2,3-lutidine N-oxide

    7. 2,3-dimethyl-4-nitro-1-oxidopyridin-1-ium

    8. 2,3-dimethyl-4-nitropyridin-1-ium-1-olate

    9. Mfcd00065172

    10. V7t97wm6ba

    11. Brn 1569438

    12. 4-nitro-2,3-dimethylpyridine N-oxide

    13. 2,3-dimethyl-4-nitropyridine-1-oxide

    14. 2,3-dimethyl-4-nitro-1-oxido-pyridin-1-ium

    15. Unii-v7t97wm6ba

    16. Schembl539611

    17. Dtxsid50191134

    18. Act01397

    19. Zinc4831092

    20. 2,3-dimethyl-4-nitropyridin-n-oxide

    21. Akos015842336

    22. Ac-1174

    23. Gs-6808

    24. 4-nitro-2,3-lutidine N-oxide, 97%

    25. 2,3-dimethyl-4-nitro-pyridine 1-oxide

    26. Sy014302

    27. Db-019781

    28. A6436

    29. Cs-0135023

    30. D2905

    31. Ft-0609698

    32. 2,3-dimethyl-4-nitro Pyridine-n-oxide

    33. F11238

    34. Dimethyl-4-nitropyridine 1-oxide, 2,3-

    35. W-202546

    36. 2,3-dimethyl-4-nitro-pyridine 1-oxide;2,3-dimethyl-4-nitropyridine N-oxide

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 168.15 g/mol
    Molecular Formula C7H8N2O3
    XLogP30.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass168.05349212 g/mol
    Monoisotopic Mass168.05349212 g/mol
    Topological Polar Surface Area71.3 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity180
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1