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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

CAS 5326-23-8
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 Weight 157.55 g/mol
Molecular Formula C6H4ClNO2
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass156.9930561 g/mol
Monoisotopic Mass156.9930561 g/mol
Topological Polar Surface Area50.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity140
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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