CAS 501-81-5

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2 End Use APIs
5 Related Intermediates

Chemistry

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Also known as: 3-pyridylacetic acid, 501-81-5, 2-(pyridin-3-yl)acetic acid, Lioxone, Minedil, Piridil

Molecular Formula

C₇H₇NO₂

Molecular Weight

137.14 g/mol

InChI Key

WGNUNYPERJMVRM-UHFFFAOYSA-N

FDA UNII

7UFO07435N

1 2D Structure

CAS 501-81-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-pyridin-3-ylacetic acid

2.1.2 InChI

InChI=1S/C7H7NO2/c9-7(10)4-6-2-1-3-8-5-6/h1-3,5H,4H2,(H,9,10)

2.1.3 InChI Key

WGNUNYPERJMVRM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CN=C1)CC(=O)O

2.2 Other Identifiers

2.2.1 UNII

7UFO07435N

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-(3-pyridine)acetic Acid

2.3.2 Depositor-Supplied Synonyms

1. 3-pyridylacetic Acid

2. 501-81-5

3. 2-(pyridin-3-yl)acetic Acid

4. Lioxone

5. Minedil

6. Piridil

7. Piristerol

8. Lessterol

9. Toneon

10. 2-(3-pyridyl)acetic Acid

11. Coletin

12. 2-pyridin-3-ylacetic Acid

13. Pyridin-3-ylacetic Acid

14. Pyridine-3-acetic Acid

15. 3-pyridyl Acetic Acid

16. (pyridin-3-yl)acetic Acid

17. 3-pyridinylacetic Acid

18. Nsc70769

19. Nsc 70769

20. Nsc-70769

21. Chebi:86390

22. 7ufo07435n

23. Homonicotinic Acid

24. 3-pyridylaceticacidhydrochloride

25. 3-pyridylacetate

26. 3-pyridine-acetic Acid

27. Mfcd00066302

28. 3-pyridylaceticacid

29. Unii-7ufo07435n

30. Einecs 207-928-7

31. 3-pyridyl-acetic Acid

32. 3-carboxymethylpyridine

33. A-(3-pyridyl)acetate

34. 3-pyridine Acetic Acid

35. 2-(3-pyridyl)acetate

36. 3paa

37. (3-pyridyl)ethanoic Acid

38. Pyridin-3-yl-acetic Acid

39. 3-pyridinylacetic Acid #

40. Alpha-(3-pyridyl)acetate

41. (pyridin-3-yl)acetic Aci

42. 2-(pyridin-3-yl)acetate

43. A-(3-pyridyl)acetic Acid

44. Ncistruc1_001832

45. Ncistruc2_000005

46. Oprea1_245722

47. Schembl48609

48. Alpha-(3-pyridyl)acetic Acid

49. Gtpl1590

50. Chembl1741437

51. Dtxsid3060110

52. Hms1648n01

53. Zinc152270

54. 3-pyridineacetic Acid [mi]

55. Albb-033044

56. Bcp20278

57. Nci70769

58. Bbl001481

59. Ccg-37668

60. Ncgc00013785

61. Stl102634

62. Akos000200472

63. Cs-w016522

64. Ds-0484

65. Fg-0453

66. Hy-w015806

67. .alpha.-(3-pyridyl)acetic Acid

68. 3-pyridineacetic Acid,sodium Salt(1:1)

69. Ncgc00013785-02

70. Ncgc00096895-01

71. Ac-24998

72. Nci60_038230

73. Db-006521

74. Am20070145

75. Bb 0259224

76. Eu-0033240

77. Ft-0601403

78. Ft-0674203

79. En300-53587

80. J-506582

81. J-800109

82. Q27073746

83. F8880-7238

84. Z1245635769

85. Risedronate Sodium 2.5-hydrate Impurity D [ep Impurity]

86. Risedronate Sodium Impurity, 3-pyridyl Acetic Acid-[usp Impurity]

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₇NO₂
Molecular Weight	137.14 g/mol
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	137.047678466 g/mol
Monoisotopic Mass	137.047678466 g/mol
Topological Polar Surface Area	50.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	125
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1