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    CAS 350-03-8

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    CAS 350-03-8
    Also known as: 350-03-8, 1-(pyridin-3-yl)ethanone, 1-pyridin-3-ylethanone, 3-acetopyridine, 1-(3-pyridinyl)ethanone, Methyl 3-pyridyl ketone
    Molecular Formula
    C7H7NO
    Molecular Weight
    121.14  g/mol
    InChI Key
    WEGYGNROSJDEIW-UHFFFAOYSA-N
    FDA UNII
    00QT8FX306
    1 2D Structure

    CAS 350-03-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-pyridin-3-ylethanone
    2.1.2 InChI
    InChI=1S/C7H7NO/c1-6(9)7-3-2-4-8-5-7/h2-5H,1H3
    2.1.3 InChI Key
    WEGYGNROSJDEIW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)C1=CN=CC=C1
    2.2 Other Identifiers
    2.2.1 UNII
    00QT8FX306
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-pyridin-3-yl-ethanone

    2.3.2 Depositor-Supplied Synonyms

    1. 350-03-8

    2. 1-(pyridin-3-yl)ethanone

    3. 1-pyridin-3-ylethanone

    4. 3-acetopyridine

    5. 1-(3-pyridinyl)ethanone

    6. Methyl 3-pyridyl Ketone

    7. Ethanone, 1-(3-pyridinyl)-

    8. 3-acetyl Pyridine

    9. 3-pyridyl Methyl Ketone

    10. Methyl Pyridyl Ketone

    11. Ketone, Methyl 3-pyridyl

    12. Pyridine, 3-acetyl-

    13. Beta-acetylpyridine

    14. 1-pyridin-3-yl-ethanone

    15. 1-(pyridin-3-yl)ethan-1-one

    16. 1-(3-pyridenyl)ethanone

    17. .beta.-acetylpyridine

    18. 3-(acetyl) Pyridine

    19. Fema No. 3424

    20. 1-(3-pyridyl)ethanone

    21. Nsc 761

    22. 3-acetyl-pyridine

    23. Methyl .beta.-pyridyl Ketone

    24. Pyridine,3-acetyl

    25. 1-(3-pyridinyl)-ethanone

    26. 3-pyridinyl Methyl Ketone

    27. Nsc-761

    28. 00qt8fx306

    29. 1-(pyridin-3-yl)ethan-1-one (3-acetylpyridine)

    30. C7h7no

    31. Mp Silica Tlc

    32. Einecs 206-496-7

    33. Brn 0107751

    34. Unii-00qt8fx306

    35. 3-acetylpridine

    36. Ai3-50031

    37. 3-(acetyl)pyridine

    38. Beta -acetylpyridine

    39. Mfcd00006396

    40. 3-acetylpyridine, 98%

    41. Methyl Beta -pyridyl Ketone

    42. Schembl1699

    43. Wln: T6nj Cv1

    44. Dsstox_cid_24421

    45. Dsstox_rid_80215

    46. Nciopen2_001469

    47. 1-(pyridin-3-yl) Ethanone

    48. Dsstox_gsid_44421

    49. 1-(3-pyridyl)-1-ethanone

    50. 5-21-07-00394 (beilstein Handbook Reference)

    51. Nicotinamidase Inhibitor, 24

    52. Nsc761

    53. 3-acetylpyridine [fcc]

    54. 3-acetylpyridine [fhfi]

    55. Chembl3187172

    56. Dtxsid7044421

    57. 1-(3-pyridinyl)ethanone, 9ci

    58. Bdbm92857

    59. Fema 3424

    60. 3-acetylpyridine, >=98%, Fg

    61. Chebi:166501

    62. Methyl Pyridyl Ketone [mi]

    63. Act09581

    64. Bcp30667

    65. Zinc1587582

    66. Tox21_302119

    67. Stl185599

    68. 3-acetylpyridine, Analytical Standard

    69. Akos000119797

    70. Ab00750

    71. Ac-5339

    72. Cs-w008604

    73. Ps-5322

    74. Ncgc00255769-01

    75. Cas-350-03-8

    76. Db-013183

    77. A0112

    78. A6142

    79. Am20051106

    80. Ft-0614891

    81. Ae-641/00369001

    82. Q-100423

    83. Q27231372

    84. F2108-0105

    85. Z1250132566

    86. Imatinib Impurity H, Europepharmacopoeia (ep) Reference Standard

    87. 1-(3-pyridinyl)ethanone Pound>>methyl 3-pyridyl Ketone Pound>>1-(pyridin-3-yl)ethanone

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 121.14 g/mol
    Molecular Formula C7H7NO
    XLogP30.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass121.052763847 g/mol
    Monoisotopic Mass121.052763847 g/mol
    Topological Polar Surface Area30 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity112
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Enzyme Inhibitors

    Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

    Neurotoxins

    Toxic substances from microorganisms, plants or animals that interfere with the functions of the nervous system. Most venoms contain neurotoxic substances. Myotoxins are included in this concept. (See all compounds classified as Neurotoxins.)

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