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    EUROAPI, the leading small molecules API player, provides both API sales & CDMO services.

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    Bora Pharmaceuticals- Making success more certain.

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    Polfa Tarchomin is a leading Polish pharmaceutical company with 200 year tradition in manufacture and sale of pharmaceutical products.

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    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

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    Axplora- The partner of choice for complex APIs.

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    Fareva is a one-stop-shop for API/HPAPI, OSD & Sterile products, is USFDA, EMA and PMDA-inspected and has multiple NDA & ANDA filings.

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    Chemistry

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    Also known as: 951753-87-0, 5-isothiocyanato-3-(trifluoromethyl)pyridine-2-carbonitrile, 5-isothiocyanato-3-(trifluoromethyl)-picolinonitrile, Mfcd18382742, Schembl908840, Amy36913
    Molecular Formula
    C8H2F3N3S
    Molecular Weight
    229.18  g/mol
    InChI Key
    NQNLQGJLAVDALO-UHFFFAOYSA-N
    951753-87-0
    1 2D Structure

    951753-87-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-isothiocyanato-3-(trifluoromethyl)pyridine-2-carbonitrile
    2.1.2 InChI
    InChI=1S/C8H2F3N3S/c9-8(10,11)6-1-5(14-4-15)3-13-7(6)2-12/h1,3H
    2.1.3 InChI Key
    NQNLQGJLAVDALO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C=NC(=C1C(F)(F)F)C#N)N=C=S
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 951753-87-0

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

    3. 5-isothiocyanato-3-(trifluoromethyl)-picolinonitrile

    4. Mfcd18382742

    5. Schembl908840

    6. Amy36913

    7. At17809

    8. Ac-31087

    9. As-84072

    10. Sy129080

    11. Db-203271

    12. (5-isothiocyanato-3-(trifluoromethyl)picolinonitrile)

    13. 2-cyano-5-(isothiocyanato)-3-(trifluoromethyl)pyridine

    14. 5-isothiocyanato-3-trifluoromethylpyridine-2-carbonitrile

    15. 5-isothiocyanato-3-(trifluoromethyl)-2-pyridinecarbonitrile

    2.3 Create Date
    2008-11-03
    3 Chemical and Physical Properties
    Molecular Weight 229.18 g/mol
    Molecular Formula C8H2F3N3S
    XLogP33.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area81.1
    Heavy Atom Count15
    Formal Charge0
    Complexity326
    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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