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    CAS 69045-84-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 69045-84-7, 2,3-dichloro-5-trifluoromethylpyridine, 2,3-dichloro-5-trifluoromethyl pyridine, 69645-84-7, 5f2c8lx8ie, 2,3-dichloro-5-trifluoromethyl-pyridine
    Molecular Formula
    C6H2Cl2F3N
    Molecular Weight
    215.98  g/mol
    InChI Key
    ABNQGNFVSFKJGI-UHFFFAOYSA-N
    FDA UNII
    5F2C8LX8IE
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,3-dichloro-5-(trifluoromethyl)pyridine
    2.1.2 InChI
    InChI=1S/C6H2Cl2F3N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H
    2.1.3 InChI Key
    ABNQGNFVSFKJGI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C=NC(=C1Cl)Cl)C(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    5F2C8LX8IE
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 69045-84-7

    2. 2,3-dichloro-5-trifluoromethylpyridine

    3. 2,3-dichloro-5-trifluoromethyl Pyridine

    4. 69645-84-7

    5. 5f2c8lx8ie

    6. 2,3-dichloro-5-trifluoromethyl-pyridine

    7. Pyridine, 2,3-dichloro-5-(trifluoromethyl)-

    8. 2,3-dichloro-5-(trifluoromethyl)-pyridine

    9. 2,3,5-dctf

    10. Unii-5f2c8lx8ie

    11. 2,3-dichloro-5-trifluoro Methylpyridine

    12. Mfcd00042243

    13. Ec 410-340-5

    14. Schembl120994

    15. Dtxsid7074080

    16. Abnqgnfvsfkjgi-uhfffaoysa-

    17. Zinc499394

    18. Ac-331

    19. Bbl004464

    20. Stk400198

    21. Akos000119166

    22. 2,3-dichioro-5-trifluoromethylpyridine

    23. Pb47841

    24. 2,3 Dichloro-5-trifluoromethyl Pyridine

    25. 2,3,-dichloro-5-(trifluoromethyl)pyridine

    26. 2,3-di-chloro-5-(trifluoromethyl)pyridine

    27. Am20070080

    28. Bb 0242387

    29. Cs-0015949

    30. Ft-0609539

    31. 2,3-bis(chloranyl)-5-(trifluoromethyl)pyridine

    32. 2,3-dichloro-5-(trifluoromethyl)pyridine, 97%

    33. 045d847

    34. A836328

    35. Q-101451

    36. Q-101474

    37. Q27261950

    38. F0001-1796

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 215.98 g/mol
    Molecular Formula C6H2Cl2F3N
    XLogP33.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count0
    Exact Mass214.9516389 g/mol
    Monoisotopic Mass214.9516389 g/mol
    Topological Polar Surface Area12.9 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity161
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1