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    CAS 877399-00-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 877399-00-3, 5-bromo-3-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine, (r)-5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine, Mfcd18207061, Ec 700-798-7, Amy274
    Molecular Formula
    C13H10BrCl2FN2O
    Molecular Weight
    380.0  g/mol
    InChI Key
    URFUZAZEKBBCEY-ZCFIWIBFSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-bromo-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
    2.1.2 InChI
    InChI=1S/C13H10BrCl2FN2O/c1-6(11-8(15)2-3-9(17)12(11)16)20-10-4-7(14)5-19-13(10)18/h2-6H,1H3,(H2,18,19)/t6-/m1/s1
    2.1.3 InChI Key
    URFUZAZEKBBCEY-ZCFIWIBFSA-N
    2.1.4 Canonical SMILES
    CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)Br)N
    2.1.5 Isomeric SMILES
    C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)Br)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 877399-00-3

    2. 5-bromo-3-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine

    3. (r)-5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine

    4. Mfcd18207061

    5. Ec 700-798-7

    6. Amy274

    7. Schembl1823429

    8. Dtxsid10470674

    9. Bcp26375

    10. Cs-m0266

    11. Zinc38252749

    12. Akos016000207

    13. Ac-25086

    14. Ds-18416

    15. B5682

    16. F11537

    17. A849911

    18. (r)-3-(1-(2,6-dichloro-3-fluorophenyl)ethyoxyl)-5-bromo-2-aminopyridine

    19. (r)-5-bromo-3-(1-(2,6-dichloro-3-fluorophenyl)-ethoxy)pyridin-2-amine

    20. [5-bromo-3-[[(r)-1-(2,6-dichloro-3-fluorophenyl)ethyl]oxy]pyridin-2-yl]amine

    21. 5-bromo-3-[(1r)-1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-pyridin-2-ylamine

    22. 5-bromo-3-[(r)-1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-pyridin-2-ylamine

    23. 5-bromo-3-[1-(r)-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-pyridin-2-ylamine

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 380.0 g/mol
    Molecular Formula C13H10BrCl2FN2O
    XLogP34.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass377.93376 g/mol
    Monoisotopic Mass377.93376 g/mol
    Topological Polar Surface Area48.1 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity329
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1