CAS 16179-97-8

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BUILDING BLOCK

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2 End Use APIs
4 Related Intermediates

Chemistry

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Also known as: 16179-97-8, 2-(pyridin-2-yl)acetic acid hydrochloride, 2-pyridineacetic acid hydrochloride, 2-pyridineacetic acid, hydrochloride, 2-pyridylacetic acid hcl, 2-pyridylacetic acid, hcl

Molecular Formula

C₇H₈ClNO₂

Molecular Weight

173.60 g/mol

InChI Key

MQVISALTZUNQSK-UHFFFAOYSA-N

1 2D Structure

CAS 16179-97-8

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. 2-pyridylacetic Acid Hcl

6. 2-pyridylacetic Acid, Hcl

7. 2-pyridineacetic Acid, Hydrochloride (1:1)

8. Pyridin-2-ylacetic Acid Hydrochloride

9. Mfcd00012812

10. Pyridylacetic Acid Hydrochloride

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

12. 2-pyridylacetic Acid Hydrochloide

13. 2-carboxymethylpyridinium Chloride

14. Einecs 240-316-8

15. Nsc 83227

16. 2-(2-pyridyl)acetic Acid Hydrochloride

17. Schembl334937

18. Unii-7ym2824v24

19. Dtxsid70884874

20. 2-pyridinylacetic Acid Hydrochloride

21. 2-pyridyl-acetic Acid Hydrochloride

22. Act01316

23. Amy10193

24. Bcp25440

25. Nsc83227

26. 2'-pyridylacetic Acid Hydrochloride

27. 2-pyridinyl-acetic Acid Hydrochloride

28. Nsc-83227

29. Akos009084667

30. Pyridin-2-yl-acetic Acid Hydrochloride

31. 7ym2824v24

32. Ac-2897

33. Cs-w017541

34. Sb52233

35. 2-pyridin-2-ylacetic Acid;hydrochloride

36. 2-(pyridin-2-yl)aceticacidhydrochloride

37. 2-pyridylacetic Acid Hydrochloride, 99%

38. Sy003293

39. Ts-02390

40. Db-021523

41. A3590

42. Ft-0613399

43. P1076

44. En300-34537

45. 179p978

46. Q-100735

47. W-107970

48. Z234895189

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