CAS 5326-23-8

Chemistry

Chemistry

Manufacturers/Suppliers

2 Suppliers

2 Suppliers

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1 Intermediates

1 Intermediates

Also known as: 5326-23-8, 6-chloropyridine-3-carboxylic acid, 6-chloro-3-pyridinecarboxylic acid, 3-pyridinecarboxylic acid, 6-chloro-, 6-chloro-nicotinic acid, 6chloronichotinicacid

Molecular Formula

C₆H₄ClNO₂

Molecular Weight

157.55 g/mol

InChI Key

UAWMVMPAYRWUFX-UHFFFAOYSA-N

FDA UNII

99V0U0120A

1 2D Structure

CAS 5326-23-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-chloropyridine-3-carboxylic acid

2.1.2 InChI

InChI=1S/C6H4ClNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H,9,10)

2.1.3 InChI Key

UAWMVMPAYRWUFX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=NC=C1C(=O)O)Cl

2.2 Other Identifiers

2.2.1 UNII

99V0U0120A

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 5326-23-8

2. 6-chloropyridine-3-carboxylic Acid

3. 6-chloro-3-pyridinecarboxylic Acid

4. 3-pyridinecarboxylic Acid, 6-chloro-

5. 6-chloro-nicotinic Acid

6. 6chloronichotinicacid

7. Mfcd00006241

8. 6-chloro Nicotinic Acid

9. 2-chloro-5-pyridinecarboxylic Acid

10. Nsc-277

11. 99v0u0120a

12. 6-chloronicotinicacid

13. Unii-99v0u0120a

14. Nsc 277

15. Einecs 226-201-5

16. 2-chloroncotinic Acid

17. 6--chloronicotinic Acid

18. Mls000332521

19. Schembl104580

20. Nsc277

21. Chembl1723657

22. Dtxsid6063775

23. Chebi:180996

24. Hms2594d10

25. Hms3380l09

26. Zinc164579

27. 3-carboxy-6-chloropyridine

28. Nicotinic Acid, 6-chloro-

29. 2-chlor-5-pyridine Carboxylic Acid

30. Act02407

31. Bcp27398

32. Cs-d1204

33. 2-chloro-5-pyridine Carboxylic Acid

34. 6-chloro-pyridine-3-carboxylic Acid

35. Bdbm50486226

36. Cx1097

37. Stk711128

38. Akos000119704

39. Ab00659

40. Ac-2508

41. Ps-5330

42. Ncgc00246336-01

43. 6-chloro-3-pyridinecaboxylic Acid

44. 6-chloropyridin-3-carboxylic Acid

45. Bp-12853

46. Smr000221815

47. Sy001709

48. 2-chloropyridine-5-carboxylic Acid

49. 6-chloropyridine-3-carboxylic Acid, 99%

50. Db-024112

51. Am20061288

52. Bb 0242383

53. Ft-0621081

54. 26c238

55. A15628

56. 6-chloronicotinic Acid, Purum, >=97.0% (t)

57. W-105758

58. Q26841281

59. 6-chloropyridine-3-carboxylic Acid, Analytical Standard

60. F2191-0190

61. Z256709192

62. 6-chloropyridine-3-carboxylic Acid; 6-chloro-3-pyridinecarboxylic Acid; 3-pyridinecarboxylic Acid, 6-chloro-

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₄ClNO₂
Molecular Weight	157.55 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	156.9930561 g/mol
Monoisotopic Mass	156.9930561 g/mol
Topological Polar Surface Area	50.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	140
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