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    CAS 41667-95-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 41667-95-2, Nj6bkw4xsw, Nsc-63885, Dtxsid20289779, Refchem:101138, Dtxcid60240925
    Molecular Formula
    C6H3Cl2NO2
    Molecular Weight
    192.00  g/mol
    InChI Key
    RNRLTTNKVLFZJS-UHFFFAOYSA-N
    FDA UNII
    NJ6BKW4XSW
    for treatment of Alzheimer's disease; structure in first source
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5,6-dichloropyridine-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11)
    2.1.3 InChI Key
    RNRLTTNKVLFZJS-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    NJ6BKW4XSW
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 41667-95-2

    2. Nj6bkw4xsw

    3. Nsc-63885

    4. Dtxsid20289779

    5. Refchem:101138

    6. Dtxcid60240925

    7. 5,6-dichloropyridine-3-carboxylic Acid

    8. Mfcd00075181

    9. 5,6-dichloro-3-pyridinecarboxylic Acid

    10. 5,6-dichloronicotinicacid

    11. 3-pyridinecarboxylic Acid, 5,6-dichloro-

    12. 2,3-dichloro-5-carboxypyridine

    13. 5,6-dichloro-nicotinic Acid

    14. 5,6-dichloro Nicotinic Acid

    15. 2,3-dichloropyridine-5-carboxylic Acid

    16. Nsc63885

    17. 5,6 Dichloronicotinic Acid

    18. 5.6-dichloronicotinic Acid

    19. Schembl232290

    20. Schembl29365646

    21. 2-chloro-5-carboxychloropyridine

    22. Cl0206

    23. Nsc 63885

    24. Sbb003623

    25. 5,6-dichloropyridine-3-carboxylicacid

    26. Akos000120387

    27. Ac-1061

    28. Cs-w007398

    29. Fd57268

    30. Hy-w007398

    31. Pb29008

    32. 5,6 Dichloropyridine-3-carboxylic Acid

    33. Ncgc00329091-01

    34. St088548

    35. Sy007303

    36. Db-029036

    37. D2401

    38. Ns00003791

    39. En300-20274

    40. 5,6-dichloropyridine-3-carboxylic Acid, 96%

    41. Ab01323147-02

    42. F010699

    43. 12x-0700

    44. 5,6-dichloronicotinic Acid, Purum, >=98.0% (hplc)

    45. F0001-1167

    46. Z104477552

    47. Inchi=1/c6h3cl2no2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2h,(h,10,11

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 192.00 g/mol
    Molecular Formula C6H3Cl2NO2
    XLogP32
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area50.2
    Heavy Atom Count11
    Formal Charge0
    Complexity165
    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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