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Overview of CAS 16179-97-8

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4CH-014267
PharmaCompass
4CH-014267
Also known as: 16179-97-8, 2-(pyridin-2-yl)acetic acid hydrochloride, 2-pyridineacetic acid hydrochloride, 2-pyridineacetic acid, hydrochloride, Pyridin-2-ylacetic acid hydrochloride, 2-pyridylaceticacidhydrochloride
Molecular Formula
C7H8ClNO2
Molecular Weight
173.596  g/mol
InChI Key
MQVISALTZUNQSK-UHFFFAOYSA-N

1 2D Structure

4CH-014267

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-pyridin-2-ylacetic acid;hydrochloride
2.1.2 InChI
InChI=1S/C7H7NO2.ClH/c9-7(10)5-6-3-1-2-4-8-6;/h1-4H,5H2,(H,9,10);1H
2.1.3 InChI Key
MQVISALTZUNQSK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=NC(=C1)CC(=O)O.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 16179-97-8

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

3. 2-pyridineacetic Acid Hydrochloride

4. 2-pyridineacetic Acid, Hydrochloride

5. Pyridin-2-ylacetic Acid Hydrochloride

6. 2-pyridylaceticacidhydrochloride

7. Pyridylacetic Acid Hydrochloride

8. 2-pyridineacetic Acid, Hydrochloride (1:1)

9. 2-pyridylacetic Acid Hydrochloide

10. Mfcd00012812

11. Sbb003810

12. (pyridin-2-yl)acetic Acid Hydrochloride

13. 2-(2-pyridyl)acetic Acid Hydrochloride

14. 2-carboxymethylpyridinium Chloride

15. 2-(2-pyridyl)acetic Acid, Chloride

16. Einecs 240-316-8

17. Nsc 83227

18. Pubchem14404

19. Ac1q3ezd

20. Ac1q5vka

21. 2-pyridylacetic Acid Hcl

22. 2-pyridine Acetic Acid Hcl

23. Acmc-1bo05

24. Ksc172e8t

25. Schembl334937

26. Jsp003232

27. Molport-002-317-366

28. Mqvisaltzunqsk-uhfffaoysa-n

29. 2-pyridinylacetic Acid Hydrochloride

30. 2-pyridyl-acetic Acid Hydrochloride

31. Ac1l3986

32. Act01316

33. Nsc83227

34. 2-pyridinyl-acetic Acid Hydrochloride

35. Anw-21954

36. Nsc-83227

37. Akos009084667

38. Pyridin-2-yl-acetic Acid Hydrochloride

39. Ac-2897

40. Cs-w017541

41. Mcule-3223507615

42. Rtr-006907

43. Tra0041521

44. 2-pyridin-2-ylacetic Acid Hydrochloride

45. Ks-0000026m

46. 2-pyridylacetic Acid Hydrochloride, 99%

47. Ak-45110

48. An-13493

49. Bc210696

50. Br-45110

51. Hc150295

52. He001569

53. Kb-26103

54. Sc-26574

55. Ts-02390

56. Db-021523

57. St2416236

58. Tr-006907

59. 4ch-014267

60. Ft-0613399

61. P1076

62. En300-34537

63. Pyridin-2-ylacetic Acid Hydrochloridyl

64. S-1352

65. 31594-ep2308858a1

66. 31594-ep2311816a1

67. 31594-ep2311817a1

68. 179p978

69. I02-0323

70. Q-100735

71. W-107970

72. Z234895189

73. 689143-58-6

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 173.596 g/mol
Molecular Formula C7H8ClNO2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass173.024 g/mol
Monoisotopic Mass173.024 g/mol
Topological Polar Surface Area50.2 A^2
Heavy Atom Count11
Formal Charge0
Complexity125
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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