CAS 6602-54-6

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BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 11 Related Intermediates

1 Suppliers
1 End Use APIs
11 Related Intermediates

Chemistry

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Also known as: 2-chloro-3-cyanopyridine, 6602-54-6, 2-chloropyridine-3-carbonitrile, 2-chloro-3-pyridinecarbonitrile, 3-pyridinecarbonitrile, 2-chloro-, 2-chloro-nicotinonitrile

Molecular Formula

C₆H₃ClN₂

Molecular Weight

138.55 g/mol

InChI Key

JAUPUQRPBNDMDT-UHFFFAOYSA-N

FDA UNII

2GQP44MUH2

1 2D Structure

CAS 6602-54-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chloropyridine-3-carbonitrile

2.1.2 InChI

InChI=1S/C6H3ClN2/c7-6-5(4-8)2-1-3-9-6/h1-3H

2.1.3 InChI Key

JAUPUQRPBNDMDT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(N=C1)Cl)C#N

2.2 Other Identifiers

2.2.1 UNII

2GQP44MUH2

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2-chloro-3-cyanopyridine

2. 6602-54-6

3. 2-chloropyridine-3-carbonitrile

4. 2-chloro-3-pyridinecarbonitrile

5. 3-pyridinecarbonitrile, 2-chloro-

6. 2-chloro-nicotinonitrile

7. Mfcd00014628

8. 3-cyano-2-chloropyridine

9. 2-chloro-3-cyano-pyridine

10. 2gqp44muh2

11. Nsc-73287

12. 2-chloropyridine-3-carbonitrile (2-chloronicotinonitrile)

13. Nsc73287

14. Einecs 229-550-1

15. 2-chloronicotinitrile

16. 2chloronicotinonitrile

17. 2-chloronicotinnitrile

18. 2-chloronicotinoitrile

19. 2-chloro-nictinonitrile

20. Unii-2gqp44muh2

21. 3-cyano-2-chloro-pyridine

22. Nciopen2_000476

23. 2-chloro-3-cyanopyridine (2-chloronicotinonitrile)

24. Schembl119023

25. Chembl1969978

26. Jaupuqrpbndmdt-uhfffaoysa-

27. 2-chloro-3-pyridine-carbonitrile

28. 2-chloro-pyridine-3-carbonitrile

29. Dtxsid00216240

30. Hms1627b05

31. Bcp03202

32. Cs-d1109

33. Lt0058

34. Nsc 73287

35. Stk503832

36. Akos000121267

37. 2-chloro-3-pyridinecarbonitrile, 98%

38. Ab01170

39. Ac-4665

40. Fg-0467

41. Bp-12328

42. Nci60_041599

43. Db-016001

44. A8927

45. Am20061422

46. C1369

47. Ns00010839

48. En300-21326

49. P16535

50. Q-103367

51. F0001-1761

52. Inchi=1/c6h3cln2/c7-6-5(4-8)2-1-3-9-6/h1-3h

53. 2-chloro-3-cyanopyridine;2-chloropyridine-3-carbonitrile;2-chloro-3-pyridinecarbonitrile

54. 2-chloro-3-pyridinecarbonitrile; 2-chloronicotinonitrile; 3-cyano-2-chloropyridine

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₃ClN₂
Molecular Weight	138.55 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	36.7
Heavy Atom Count	9
Formal Charge	0
Complexity	137
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