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    Chemistry

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    Also known as: 113237-20-0, 2,6-dichloro-5-fluoropyridine-3-carboxamide, 3-pyridinecarboxamide, 2,6-dichloro-5-fluoro-, Mfcd01571365, Schembl166218, Dtxsid30378845
    Molecular Formula
    C6H3Cl2FN2O
    Molecular Weight
    209.00  g/mol
    InChI Key
    ZVYNUGSPFZCYEV-UHFFFAOYSA-N
    CAS 113237-20-0
    1 2D Structure

    CAS 113237-20-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,6-dichloro-5-fluoropyridine-3-carboxamide
    2.1.2 InChI
    InChI=1S/C6H3Cl2FN2O/c7-4-2(6(10)12)1-3(9)5(8)11-4/h1H,(H2,10,12)
    2.1.3 InChI Key
    ZVYNUGSPFZCYEV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C(=NC(=C1F)Cl)Cl)C(=O)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 113237-20-0

    2. 2,6-dichloro-5-fluoropyridine-3-carboxamide

    3. 3-pyridinecarboxamide, 2,6-dichloro-5-fluoro-

    4. Mfcd01571365

    5. Schembl166218

    6. Dtxsid30378845

    7. Bcp32573

    8. Zinc2574932

    9. 2,6-dichloro-5-fluoro-nicotinamide

    10. Akos015919604

    11. Sb30778

    12. Ss-4674

    13. Ac-25121

    14. Sy056741

    15. Cs-0120187

    16. A23602

    17. An-668/25055006

    18. 2,6-dichloro-5-fluoropyridine-3-carboxamide;3-pyridinecarboxamide, 2,6-dichloro-5-fluoro-

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 209.00 g/mol
    Molecular Formula C6H3Cl2FN2O
    XLogP31.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area56
    Heavy Atom Count12
    Formal Charge0
    Complexity192
    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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