CAS 2942-59-8

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Chemistry

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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

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 Formula	C₆H₄ClNO₂
Molecular Weight	157.55 g/mol
XLogP3	1.3
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