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    875781-43-4 manufacturers and suppliers on PharmaCompass

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    875781-43-4

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    875781-43-4
    Also known as: 875781-43-4, 5-bromo-4,7-diazaindole, 2-bromo-5h-pyrrolo[3,2-b]pyrazine, Mfcd09834822, Chembl3628247, Schembl421369
    Molecular Formula
    C6H4BrN3
    Molecular Weight
    198.02  g/mol
    InChI Key
    KTKMLXBEBKGQGL-UHFFFAOYSA-N
    1 2D Structure

    875781-43-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-bromo-5H-pyrrolo[2,3-b]pyrazine
    2.1.2 InChI
    InChI=1S/C6H4BrN3/c7-5-3-9-6-4(10-5)1-2-8-6/h1-3H,(H,8,9)
    2.1.3 InChI Key
    KTKMLXBEBKGQGL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CNC2=NC=C(N=C21)Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 875781-43-4

    2. 5-bromo-4,7-diazaindole

    3. 2-bromo-5h-pyrrolo[3,2-b]pyrazine

    4. Mfcd09834822

    5. Chembl3628247

    6. Schembl421369

    7. Schembl22980418

    8. Dtxsid50648618

    9. 5-methyl-3-pyridine-1h-pyrazole

    10. Ktkmlxbebkgqgl-uhfffaoysa-n

    11. Bcp27240

    12. Bdbm50127013

    13. Sc1651

    14. Akos006326434

    15. Akos028109150

    16. Cs-w008866

    17. Fs-3280

    18. 2-bromanyl-5h-pyrrolo[2,3-b]pyrazine

    19. Ac-23734

    20. Bp-30046

    21. Sy007444

    22. Am20070392

    23. Ft-0648057

    24. A15862

    25. En300-214980

    26. A842277

    27. J-517067

    28. W-205236

    29. Z1198233192

    2.3 Create Date
    2008-12-01
    3 Chemical and Physical Properties
    Molecular Weight 198.02 g/mol
    Molecular Formula C6H4BrN3
    XLogP31.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area41.6
    Heavy Atom Count10
    Formal Charge0
    Complexity130
    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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