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    Technical details about CAS 573762-62-6, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 573762-62-6

    BUILDING BLOCK

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    2D Structure
    Also known as: 573762-62-6, 5-amino-3-(trifluoromethyl)pyridine-2-carbonitrile, 5-amino-3-(trifluoromethyl)-2-pyridinecarbonitrile, Mfcd17010171, 5-amino-2-cyano-3-trifluoromethylpyridine, 5-amino-3-(trifluromethyl) picolinonitrile
    Molecular Formula
    C7H4F3N3
    Molecular Weight
    187.12  g/mol
    InChI Key
    WLMSCOVORZUSNW-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-amino-3-(trifluoromethyl)pyridine-2-carbonitrile
    2.1.2 InChI
    InChI=1S/C7H4F3N3/c8-7(9,10)5-1-4(12)3-13-6(5)2-11/h1,3H,12H2
    2.1.3 InChI Key
    WLMSCOVORZUSNW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C=NC(=C1C(F)(F)F)C#N)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 573762-62-6

    2. 5-amino-3-(trifluoromethyl)pyridine-2-carbonitrile

    3. 5-amino-3-(trifluoromethyl)-2-pyridinecarbonitrile

    4. Mfcd17010171

    5. 5-amino-2-cyano-3-trifluoromethylpyridine

    6. 5-amino-3-(trifluromethyl) Picolinonitrile

    7. Schembl909269

    8. Dtxsid90543138

    9. Amy16499

    10. Bcp10064

    11. Zinc34080370

    12. Akos022186033

    13. Cs-w019785

    14. Ds-7863

    15. Mb69401

    16. Da-38030

    17. Sy076270

    18. 2-cyano-3-(trifluoromethyl)-5-aminopyridine

    19. 2-cyano-3-trifluoromethyl-5-(amino)pyridine

    20. Ft-0699827

    21. A857914

    22. 5-amino-2-cyano-3-(trifluoromethyl)pyridine; 5-amino-3-(trifluoromethyl)2-cyanopyridine;5-amino-3-(trifluoromethyl)picolinonitrile

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 187.12 g/mol
    Molecular Formula C7H4F3N3
    XLogP31.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count0
    Exact Mass187.03573163 g/mol
    Monoisotopic Mass187.03573163 g/mol
    Topological Polar Surface Area62.7 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity229
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1