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    CAS 757251-39-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 757251-39-1, 4-(4-amino-3-fluorophenoxy)-n-methylpyridine-2-carboxamide, 2-pyridinecarboxamide,4-(4-amino-3-fluorophenoxy)-n-methyl-, 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylic acid methylamide, C13h12fn3o2, 4-(4-amino-3-fluorophenoxy)-n-methyl-2-pyridinecarboxamide
    Molecular Formula
    C13H12FN3O2
    Molecular Weight
    261.25  g/mol
    InChI Key
    ZQHJPIPGBODVTG-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(4-amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide
    2.1.2 InChI
    InChI=1S/C13H12FN3O2/c1-16-13(18)12-7-9(4-5-17-12)19-8-2-3-11(15)10(14)6-8/h2-7H,15H2,1H3,(H,16,18)
    2.1.3 InChI Key
    ZQHJPIPGBODVTG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)N)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 757251-39-1

    2. 4-(4-amino-3-fluorophenoxy)-n-methylpyridine-2-carboxamide

    3. 2-pyridinecarboxamide,4-(4-amino-3-fluorophenoxy)-n-methyl-

    4. 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylic Acid Methylamide

    5. C13h12fn3o2

    6. 4-(4-amino-3-fluorophenoxy)-n-methyl-2-pyridinecarboxamide

    7. Ec 692-721-8

    8. Schembl400592

    9. Amy8751

    10. Dtxsid10676336

    11. Chebi:188516

    12. Bcp04468

    13. Zinc8764138

    14. 4-(4-amino-3-fluoro-phenoxy)-pyridine-2-carboxylic Acid Methylamide

    15. Mfcd09033852

    16. Akos010944888

    17. Ac-25910

    18. As-19584

    19. Cs-0006964

    20. Ft-0687293

    21. J3.555.584f

    22. 251p391

    23. A848332

    24. A1-01707

    25. 4-(4-amino-3-luorophenoxy)-n-methylpyridine-2-carboxamide

    26. 4-[4-amino-3-(fluoro)phenoxy]-n-methylpyridine-2-carboxamide

    27. 4-(4amino-3-fluoro-phenoxy)-pyridine-2-carboxylic Acid Methylamide

    2.3 Create Date
    2010-08-06
    3 Chemical and Physical Properties
    Molecular Weight 261.25 g/mol
    Molecular Formula C13H12FN3O2
    XLogP31.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass261.09135480 g/mol
    Monoisotopic Mass261.09135480 g/mol
    Topological Polar Surface Area77.2 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity316
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1