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    2,5-dichloro-4,6-dimethylpyridine-3-carboxamide

    PharmaCompass
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    2D Structure
    Also known as: 175204-44-1, 2,5-dichloro-4,6-dimethylpyridine-3-carboxamide, 2,5-dichloro-4,6-dimethyl-nicotinamide, 3-pyridinecarboxamide, 2,5-dichloro-4,6-dimethyl-, 3-pyridinecarboxamide,2,5-dichloro-4,6-dimethyl-, Nsc341974
    Molecular Formula
    C8H8Cl2N2O
    Molecular Weight
    219.06  g/mol
    InChI Key
    IHXGELAZSSLGOE-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,5-dichloro-4,6-dimethylpyridine-3-carboxamide
    2.1.2 InChI
    InChI=1S/C8H8Cl2N2O/c1-3-5(8(11)13)7(10)12-4(2)6(3)9/h1-2H3,(H2,11,13)
    2.1.3 InChI Key
    IHXGELAZSSLGOE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C(=NC(=C1Cl)C)Cl)C(=O)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 175204-44-1

    2. 2,5-dichloro-4,6-dimethylpyridine-3-carboxamide

    3. 2,5-dichloro-4,6-dimethyl-nicotinamide

    4. 3-pyridinecarboxamide, 2,5-dichloro-4,6-dimethyl-

    5. 3-pyridinecarboxamide,2,5-dichloro-4,6-dimethyl-

    6. Nsc341974

    7. Schembl21906012

    8. Dtxsid10319216

    9. Ihxgelazsslgoe-uhfffaoysa-n

    10. Stk765511

    11. Akos005616436

    12. Am85413

    13. Nsc-341974

    14. Db-408709

    15. Cs-0333843

    16. G63940

    17. 3-pyridinecarboxamide,5-dichloro-4,6-dimethyl-

    18. 2,5-dichloro-4,6-dimethyl-3-pyridinecarboxamide

    19. Sr-01000534267

    20. Sr-01000534267-1

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 219.06 g/mol
    Molecular Formula C8H8Cl2N2O
    XLogP32.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area56
    Heavy Atom Count13
    Formal Charge0
    Complexity212
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1