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    CAS 16013-85-7

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 16013-85-7, Pyridine, 2,6-dichloro-3-nitro-, 2,6-dichloro-3-nitro-pyridine, 3-nitro-2,6-dichloropyridine, Mfcd00006234, Kh7f529l8w
    Molecular Formula
    C5H2Cl2N2O2
    Molecular Weight
    192.98  g/mol
    InChI Key
    SHCWQWRTKPNTEM-UHFFFAOYSA-N
    FDA UNII
    KH7F529L8W
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,6-dichloro-3-nitropyridine
    2.1.2 InChI
    InChI=1S/C5H2Cl2N2O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H
    2.1.3 InChI Key
    SHCWQWRTKPNTEM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=NC(=C1[N+](=O)[O-])Cl)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    KH7F529L8W
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 16013-85-7

    2. Pyridine, 2,6-dichloro-3-nitro-

    3. 2,6-dichloro-3-nitro-pyridine

    4. 3-nitro-2,6-dichloropyridine

    5. Mfcd00006234

    6. Kh7f529l8w

    7. 2,6-dichloro-3-nitro Pyridine

    8. Einecs 240-151-1

    9. Cholest-4-ene, 3-chloro-, (3

    10. A)-

    11. 2,6-dichloronitropyridine

    12. Dichloronitropyridine

    13. Unii-kh7f529l8w

    14. Schembl56616

    15. 2,6-dichioro 3-nitropyridine

    16. 2,6-dichloro 3-nitropyridine

    17. 2,6-dichloro-5-nitropyridine

    18. Dtxsid10166803

    19. Zinc967353

    20. Act01414

    21. 2,6-dichloro-3-nitropyridine Tech.

    22. Stk801264

    23. 2,6-bis(chloranyl)-3-nitro-pyridine

    24. Akos005255252

    25. Ac-2768

    26. Cs-w001992

    27. Pb28956

    28. Ps-3147

    29. Cholest-4-ene,3-chloro-,(3a)-(9ci)

    30. Bp-10097

    31. Sy002863

    32. Db-005147

    33. Am20070294

    34. D2761

    35. Ft-0610569

    36. Ft-0651285

    37. 2,6-dichloro-3-nitropyridine 13901-10-5

    38. En300-38973

    39. 13d857

    40. A807471

    41. Ac-907/30002032

    42. W-107981

    43. 2,6-dichloro-3-nitropyridine, Technical Grade, 92%

    44. F0001-0573

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 192.98 g/mol
    Molecular Formula C5H2Cl2N2O2
    XLogP32.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass191.9493327 g/mol
    Monoisotopic Mass191.9493327 g/mol
    Topological Polar Surface Area58.7 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity161
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1