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    CAS 133627-46-0

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 133627-46-0, 2-chloro-n-(2-chloro-4-methyl-3-pyridinyl)-3-pyridinecarboxamide, 2-chloro-n-(2-chloro-4-methylpyridin-3-yl)pyridine-3-carboxamide, 2-chloro-n-(2-chloro-4-methyl-pyridin-3-yl)nicotinamide, 2-chloro-n-(2-chloro-4- methyl-3-pyridyl)-3-pyridine carboxamide, 2-chloro-n-(2-chloro-4-methyl-3-pyridinyl-3-pyridine) carboxamide(carboxamide)
    Molecular Formula
    C12H9Cl2N3O
    Molecular Weight
    282.12  g/mol
    InChI Key
    UVCHGYJPZGYMSW-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-chloro-N-(2-chloro-4-methylpyridin-3-yl)pyridine-3-carboxamide
    2.1.2 InChI
    InChI=1S/C12H9Cl2N3O/c1-7-4-6-16-11(14)9(7)17-12(18)8-3-2-5-15-10(8)13/h2-6H,1H3,(H,17,18)
    2.1.3 InChI Key
    UVCHGYJPZGYMSW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C(=NC=C1)Cl)NC(=O)C2=C(N=CC=C2)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 133627-46-0

    2. 2-chloro-n-(2-chloro-4-methyl-3-pyridinyl)-3-pyridinecarboxamide

    3. 2-chloro-n-(2-chloro-4-methylpyridin-3-yl)pyridine-3-carboxamide

    4. 2-chloro-n-(2-chloro-4-methyl-pyridin-3-yl)nicotinamide

    5. 2-chloro-n-(2-chloro-4- Methyl-3-pyridyl)-3-pyridine Carboxamide

    6. 2-chloro-n-(2-chloro-4-methyl-3-pyridinyl-3-pyridine) Carboxamide(carboxamide)

    7. 3-pyridinecarboxamide, 2-chloro-n-(2-chloro-4-methyl-3-pyridinyl)-

    8. 2-chloro-n-(2-chloro-4-methyl-3-pyridyl)-3-pyridine Carboxamide

    9. Schembl1923392

    10. Dtxsid80439718

    11. Mfcd09031256

    12. Zinc21991766

    13. Akos014828541

    14. Ac-18950

    15. As-17449

    16. Db-000413

    17. Cs-0186620

    18. Ft-0645672

    19. F16427

    20. 627c460

    21. A806653

    22. 2-chloro-n-(2-chloro-4-methyl-3-pyridyl)nicotinamide

    23. N-(2-chloro-4-methyl-3-pyridyl)-2-chloronicotinamide

    24. 2-chloro-n-(2-chloro-4-methyl-pyridin-3-yl) Nicotinamide

    25. 2-chloro-n-(2-chloro-4-methyl-pyridin-3-yl)-nicotinamide

    26. 2-chloro-n-(2-chloro-4-methyl-3-pyridinyl)-3-pyridine Carboxamide

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 282.12 g/mol
    Molecular Formula C12H9Cl2N3O
    XLogP32.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass281.0122673 g/mol
    Monoisotopic Mass281.0122673 g/mol
    Topological Polar Surface Area54.9 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity303
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1