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    Technical details about CAS 91591-63-8, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 91591-63-8

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    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 91591-63-8, 2,5-dichloro-4,6-dimethylpyridine-3-carbonitrile, 2,5-dichloro-4,6-dimethyl-3-pyridinecarbonitrile, 3-pyridinecarbonitrile, 2,5-dichloro-4,6-dimethyl-, Mfcd00052631, 3-cyano-2,5-dichloro-4,6-dimethylpyridine
    Molecular Formula
    C8H6Cl2N2
    Molecular Weight
    201.05  g/mol
    InChI Key
    UCGWYTUBYASPFG-UHFFFAOYSA-N
    FDA UNII
    NL7PQ926CN
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,5-dichloro-4,6-dimethylpyridine-3-carbonitrile
    2.1.2 InChI
    InChI=1S/C8H6Cl2N2/c1-4-6(3-11)8(10)12-5(2)7(4)9/h1-2H3
    2.1.3 InChI Key
    UCGWYTUBYASPFG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C(=NC(=C1Cl)C)Cl)C#N
    2.2 Other Identifiers
    2.2.1 UNII
    NL7PQ926CN
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 91591-63-8

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

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

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

    5. Mfcd00052631

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

    7. Nsc341973

    8. 2,5-dichloro-3-cyano-4,6-dimethylpyridine

    9. Schembl8471830

    10. Dtxsid50319215

    11. Bcp18750

    12. Stk724629

    13. Akos001751894

    14. Gs-3527

    15. Nsc 341973

    16. Nsc-341973

    17. Sy017930

    18. 2,5-dichloro-4,6-dimethyl-nicotinonitrile

    19. Am20070269

    20. Cs-0010501

    21. 3-pyridinecarbonitrile,5-dichloro-4,6-dimethyl-

    22. A860323

    23. Ag-205/41147734

    24. Sr-01000533931

    25. 3-pyridinecarbonitrile,2,5-dichloro-4,6-dimethyl-

    26. J-803059

    27. Sr-01000533931-1

    28. W-204063

    29. 2 Pound Not5-dichloro-4 Pound Not6-dimethylnicotinonitrile

    30. 2,5-dichloro-4,6-dimethylnicotinonitrile;2,5-dichloro-4,6-dimethylpyridine-3-carbonitrile

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 201.05 g/mol
    Molecular Formula C8H6Cl2N2
    XLogP32.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area36.7
    Heavy Atom Count12
    Formal Charge0
    Complexity210
    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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