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    Technical details about CAS 536760-29-9, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 536760-29-9

    BUILDING BLOCK

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    2D Structure
    Also known as: 536760-29-9, 3-chloro-5,6-dihydro-1-(4-nitrophenyl)-2(1h)-pyridinone, 5-chloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one, 2(1h)-pyridinone, 3-chloro-5,6-dihydro-1-(4-nitrophenyl)-, 2(1h)-pyridine,3-chloro-5,6-dihydro-1-(4-nitrophenyl), Apixaban related compound 2
    Molecular Formula
    C11H9ClN2O3
    Molecular Weight
    252.65  g/mol
    InChI Key
    DOUAPYNOGMHPFD-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-chloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one
    2.1.2 InChI
    InChI=1S/C11H9ClN2O3/c12-10-2-1-7-13(11(10)15)8-3-5-9(6-4-8)14(16)17/h2-6H,1,7H2
    2.1.3 InChI Key
    DOUAPYNOGMHPFD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(C(=O)C(=C1)Cl)C2=CC=C(C=C2)[N+](=O)[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 536760-29-9

    2. 3-chloro-5,6-dihydro-1-(4-nitrophenyl)-2(1h)-pyridinone

    3. 5-chloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one

    4. 2(1h)-pyridinone, 3-chloro-5,6-dihydro-1-(4-nitrophenyl)-

    5. 2(1h)-pyridine,3-chloro-5,6-dihydro-1-(4-nitrophenyl)

    6. Apixaban Related Compound 2

    7. Schembl8243895

    8. Dtxsid90470632

    9. Amy36801

    10. Bcp11629

    11. Cs-m0373

    12. Mfcd18207128

    13. Zinc38247346

    14. Akos015951085

    15. Fd10599

    16. Ac-26841

    17. Da-16944

    18. Ds-16656

    19. Ft-0758197

    20. A850072

    21. J-512260

    22. 3-chloro-5, 6-dihydro-1-(4-nitrophenyl)-2(1h)-pyridinone

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 252.65 g/mol
    Molecular Formula C11H9ClN2O3
    XLogP32.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass252.0301698 g/mol
    Monoisotopic Mass252.0301698 g/mol
    Topological Polar Surface Area66.1 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity356
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1