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Also known as: 2942-59-8, 2-chloropyridine-3-carboxylic acid, 2-chloro-3-pyridinecarboxylic acid, 3-pyridinecarboxylic acid, 2-chloro-, 2-chloro-nicotinic acid, Nicotinic acid, 2-chloro-
Molecular Formula
C6H4ClNO2
Molecular Weight
157.55  g/mol
InChI Key
IBRSSZOHCGUTHI-UHFFFAOYSA-N
FDA UNII
93G386213F

CAS 2942-59-8
1 2D Structure

CAS 2942-59-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloropyridine-3-carboxylic acid
2.1.2 InChI
InChI=1S/C6H4ClNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10)
2.1.3 InChI Key
IBRSSZOHCGUTHI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(N=C1)Cl)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
93G386213F
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2942-59-8

2. 2-chloropyridine-3-carboxylic Acid

3. 2-chloro-3-pyridinecarboxylic Acid

4. 3-pyridinecarboxylic Acid, 2-chloro-

5. 2-chloro-nicotinic Acid

6. Nicotinic Acid, 2-chloro-

7. Mfcd00006236

8. 2-chloro Nicotinic Acid

9. 3-carboxy-2-chloropyridine

10. Nsc-378

11. 93g386213f

12. 2-chloronicotinicacid

13. Nsc 378

14. Unii-93g386213f

15. Chloronicotinic Acid

16. Einecs 220-937-0

17. 2chloronicotinic Acid

18. Cnis

19. 2-choronicotinic Acid

20. Niflumic Acid Impurity A

21. Ec 220-937-0

22. Flunixin Related Compound A

23. Mls000332085

24. Schembl353141

25. Nsc378

26. Chembl1505789

27. Dtxsid9062726

28. 2-chloropyridin-3-carboxylic Acid

29. Hms2619a03

30. Zinc164425

31. 2-chloropyridine 3-carboxylic Acid

32. Bcp27191

33. 2-chloro-pyridine-3-carboxylic Acid

34. Stk394287

35. Akos000119897

36. Ab00651

37. Ac-2515

38. Cs-w017965

39. Ps-5333

40. Sb40463

41. Ncgc00246335-01

42. Bp-11743

43. Smr000221567

44. Sy001758

45. 2-chloropyridine-3-carboxylic Acid, 99%

46. 3-pyridinecarboxylic Acid,2-chloro

47. Db-005235

48. A5493

49. Am20051047

50. Bb 0218348

51. Flunixin Related Compound A [usp-rs]

52. Ft-0601274

53. 42c598

54. P16536

55. Ac-907/30003060

56. Flunixin Related Compound A [usp Impurity]

57. Flunixin Meglumine Impurity A [ep Impurity]

58. Q-200263

59. Q27271592

60. F2191-0179

61. Niflumic Acid Impurity A, European Pharmacopoeia (ep) Reference Standard

62. Flunixin Related Compound A, United States Pharmacopeia (usp) Reference Standard

63. 960360-14-9

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 157.55 g/mol
Molecular Formula C6H4ClNO2
XLogP31.3
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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