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CAS No 5746-86-1

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Chemistry

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Also known as: 3-(pyrrolidin-2-yl)pyridine, 5746-86-1, 3-(2-pyrrolidinyl)pyridine, (r,s)-nornicotine, 3-pyrrolidin-2-ylpyridine, (+/-)-nornicotine

Molecular Formula

C₉H₁₂N₂

Molecular Weight

148.20 g/mol

InChI Key

MYKUKUCHPMASKF-UHFFFAOYSA-N

Nornicotine has been reported in Senegalia berlandieri, Nicotiana suaveolens, and other organisms with data available.

1 2D Structure

CAS No 5746-86-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-pyrrolidin-2-ylpyridine

2.1.2 InChI

InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2

2.1.3 InChI Key

MYKUKUCHPMASKF-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 3-(2-pyrrolidinyl)pyridine

2. Nornicotine Tartrate, (s)-(r-(r*,r*))-isomer

3. Nornicotine, (r)-isomer

4. Nornicotine, (s)-isomer

2.2.2 Depositor-Supplied Synonyms

1. 3-(pyrrolidin-2-yl)pyridine

2. 5746-86-1

3. 3-(2-pyrrolidinyl)pyridine

4. (r,s)-nornicotine

5. 3-pyrrolidin-2-ylpyridine

6. (+/-)-nornicotine

7. 3-pyrrolidin-2-yl-pyridine

8. (+-)-nornicotine

9. 2-(3-pyridyl)pyrrolidine

10. Dl-nornicotine

11. (+-)-1'-demethylnicotine

12. Mfcd00016913

13. 3-(2-pyrrolidyl)pyridine

14. (+-)-3-(2-pyrrolidinyl)pyridine

15. Chembl1132

16. ( Inverted Exclamation Marka)-nornicotine

17. (s)-3-pyrrolidin-2-yl-pyridine

18. 13450-58-3

19. 3-[(2rs)-pyrrolidin-2-yl]pyridine ((rs)-nornicotine)

20. 1'-demethylnicotine

21. Smr000449277

22. (r,s)-nornicotine (1.0 Mg/ml In Methanol)

23. (s)-2-(3-pyridyl)pyrrolidine

24. 2-(pyridin-3-yl)pyrrolidine

25. 3-(2-pyrrolidinyl)-(s)-pyridine

26. Dl-norcitine

27. Mfcd09257346

28. (rs)-nornicotine

29. Nicotine, 1'-demethyl-, (+-)-

30. Dl-2-(3-pyridyl)pyrrolidine

31. Nornicotine, 97%

32. .beta.-dl-nornicotine

33. Pyridine, 3-(2-pyrrolidinyl)-, (+-)-

34. (.+/-.)-nornicotine

35. Mls000758240

36. Mls001424032

37. (+-)-1'-demethyl-nicotine

38. Schembl158145

39. 3-(pyrolidin-2-yl)-pyridine

40. Schembl13090363

41. (.+/-.)-1'-demethylnicotine

42. Dtxsid50862034

43. (r)-3-(2-pyrrolidinyl)pyridine

44. (r)-3-pyrrolidin-2-yl-pyridine

45. 3-pyrrolidin-2-ylpyridine, 95%

46. Glxc-19132

47. Hms2051o11

48. Hms2232n03

49. Hms3372k03

50. Hms3393o11

51. 2-(3-pyridinyl)pyrrolidine

52. Ar1067

53. Bdbm50023328

54. Stl139255

55. (+/-)-3-(pyrrolidin-2-yl)pyridine

56. Akos001428655

57. Akos016050380

58. Ab01223

59. Ccg-100790

60. Cs-w002112

61. Gf-0112

62. Nc00040

63. Sb37344

64. Sb37747

65. Ncgc00163364-01

66. Nicotine, 1'-demethyl-, (.+/-.)-

67. 1st14014

68. Ac-10074

69. Sy023448

70. Sy245637

71. Db-021745

72. Ns00098483

73. En300-23749

74. (+/-)-nornicotine, >=98% (tlc), Liquid

75. C06524

76. P67210

77. Pyridine, 3-(2-pyrrolidinyl)-, (.+/-.)-

78. (s)-nornicotine;(s)-(2-[3-pyridyl]pyrrolidine)

79. Q907939

80. J-510969

81. Brd-a24543851-001-05-7

82. Z164706372

83. (+/-)-nornicotine-d4, 100 Mug/ml In Methanol, Ampule Of 1 Ml, Certified Reference Material

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₂N₂
Molecular Weight	148.20 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	24.9
Heavy Atom Count	11
Formal Charge	0
Complexity	125
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Insecticides

Pesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics. (See all compounds classified as Insecticides.)

4.2 Metabolism/Metabolites

Nornicotine is a known thirdhand smoke metabolite of Nicotine.

S81 | THSTPS | Thirdhand Smoke Specific Metabolites | DOI:10.5281/zenodo.5394629