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    PharmaCompass

    Chemistry

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    Also known as: 52092-47-4, 2-nitro-5-chloropyridine, Mfcd03092916, 3-chloro-6-nitropyridine, Pyridine, 5-chloro-2-nitro-, 5-chloro-2-nitro-pyridine
    Molecular Formula
    C5H3ClN2O2
    Molecular Weight
    158.54  g/mol
    InChI Key
    YUBHMOQVHOODEI-UHFFFAOYSA-N
    CAS 52092-47-4
    1 2D Structure

    CAS 52092-47-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-chloro-2-nitropyridine
    2.1.2 InChI
    InChI=1S/C5H3ClN2O2/c6-4-1-2-5(7-3-4)8(9)10/h1-3H
    2.1.3 InChI Key
    YUBHMOQVHOODEI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=NC=C1Cl)[N+](=O)[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 52092-47-4

    2. 2-nitro-5-chloropyridine

    3. Mfcd03092916

    4. 3-chloro-6-nitropyridine

    5. Pyridine, 5-chloro-2-nitro-

    6. 5-chloro-2-nitro-pyridine

    7. Nsc90388

    8. Ribociclib Intermediates

    9. Nciopen2_001326

    10. Schembl851644

    11. Schembl17525875

    12. Dtxsid90293525

    13. 5-chloro-2-nitropyridine, 97%

    14. Yubhmoqvhoodei-uhfffaoysa-n

    15. Bcp09359

    16. Nsc-90388

    17. Akos000431607

    18. Cs-w002991

    19. Ps-4114

    20. Sb53003

    21. Ac-23544

    22. Sy013411

    23. Db-005376

    24. A7656

    25. Am20070239

    26. En300-08929

    27. 5-chloro-2-nitr5-chloro-2-nitropyridineopyridine

    28. J-517330

    29. Z104475594

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 158.54 g/mol
    Molecular Formula C5H3ClN2O2
    XLogP31.6
    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
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