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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

CAS 350-03-8
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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