CAS 6419-36-9

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4 Related Intermediates

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Also known as: 6419-36-9, 2-(pyridin-3-yl)acetic acid hydrochloride, Pyridine-3-acetic acid hydrochloride, 3-pyridylacetic acid hcl, 3-pyridineacetic acid hydrochloride, Pyridin-3-ylacetic acid hydrochloride

Molecular Formula

C₇H₈ClNO₂

Molecular Weight

173.60 g/mol

InChI Key

XVCCOEWNFXXUEV-UHFFFAOYSA-N

1 2D Structure

CAS 6419-36-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-pyridin-3-ylacetic acid;hydrochloride

2.1.2 InChI

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

2.1.3 InChI Key

XVCCOEWNFXXUEV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CN=C1)CC(=O)O.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6419-36-9

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

3. Pyridine-3-acetic Acid Hydrochloride

4. 3-pyridylacetic Acid Hcl

5. 3-pyridineacetic Acid Hydrochloride

6. Pyridin-3-ylacetic Acid Hydrochloride

7. 3-pyridylacetic Acid, Hcl

8. 3-pyridineacetic Acid, Hydrochloride

9. Mfcd00012819

10. 2-pyridin-3-ylacetic Acid;hydrochloride

11. 3-pyridineacetic Acid, Hydrochloride (1:1)

12. 2-(3-pyridinyl)acetic Acid Hydrochloride

13. 3-pyridylacetic Acid (hydrochloride)

14. 3-pyridylaceticacidhydrochloride

15. 2-pyridin-1-ium-3-ylacetic Acid;chloride

16. 3-pyridyl Acetic Acid Hcl

17. 3-pyridinylacetic Acid Hcl

18. Pyridine-3-acetic Acid Hcl

19. Conduritolb

20. 3-pyridinylacetic Acid-hcl

21. Schembl177895

22. 3-pyridyl Acetic Acid Hydrochloride

23. 3-pyridine Acetic Acid Hydrochloride

24. 3-pyridine-acetic Acid Hydrochloride

25. Akos005258411

26. Pyridin-3-yl-acetic Acid Hydrochloride

27. (pyridin-3-yl)acetic Acid Hydrochlorid

28. Ab01106

29. Ac-2507

30. Cs-w004515

31. Hy-w004515

32. Ps-8642

33. (pyridin-3-yl)acetic Acid Hydrochloride

34. 2-(pyridin-3-yl)aceticacidhydrochloride

35. 3-pyridineacetic Acid Hydrochloride Salt

36. Pyridine-3-yl-acetic Acid Hydrochloride

37. 3-(carboxymethyl)pyridin-1-ium Chloride

38. 3-pyridylacetic Acid Hydrochloride, 98%

39. Sy001707

40. 2-(pyridin-3-yl)acetic Acid-hydrochloride

41. Db-014325

42. Pyridin-3-yl-acetic Acid Hydrochloride Salt

43. (3-pyridinyl)acetic Acid, Hydrochloride Salt

44. Am20061401

45. Ft-0616375

46. P0639

47. 19p369

48. J-640107

49. J-670022

50. J-801021

51. Nicotine Related Compound (3-pyridylacetic Acid Hcl)

52. F2191-0122

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₇H₈ClNO₂
Molecular Weight	173.60 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	173.0243562 g/mol
Monoisotopic Mass	173.0243562 g/mol
Topological Polar Surface Area	50.2 Å²
Heavy Atom Count	11
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	2