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Also known as: 33252-28-7, 6-chloronicotinonitrile, 6-chloropyridine-3-carbonitrile, 6-chloro-3-pyridinecarbonitrile, 2-chloro-5-pyridinecarbonitrile, 2-chloropyridine-5-carbonitrile
Molecular Formula
C6H3ClN2
Molecular Weight
138.55  g/mol
InChI Key
ORIQLMBUPMABDV-UHFFFAOYSA-N

CAS 33252-28-7
1 2D Structure

CAS 33252-28-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-chloropyridine-3-carbonitrile
2.1.2 InChI
InChI=1S/C6H3ClN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H
2.1.3 InChI Key
ORIQLMBUPMABDV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=NC=C1C#N)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 33252-28-7

2. 6-chloronicotinonitrile

3. 6-chloropyridine-3-carbonitrile

4. 6-chloro-3-pyridinecarbonitrile

5. 2-chloro-5-pyridinecarbonitrile

6. 2-chloropyridine-5-carbonitrile

7. 6-chloro-nicotinonitrile

8. 3-pyridinecarbonitrile, 6-chloro-

9. 6-chloro Nicotinonitrile

10. 6-chloro-3-cyanopyridine

11. Mfcd00084941

12. 2-chloro-5-cyano-pyridine

13. 6-chloronicotinitrile

14. 6-chloronicotino-nitrile

15. 6-chloro-nicotino-nitrile

16. 2-chloro,5-cyanopyridine

17. 5-cyano-2-chloropyridine

18. 2-chloro -5-cyanopyridine

19. 2-chloro- 5-cyanopyridine

20. 2-chloro-5-(cyano)pyridine

21. Schembl75830

22. 2-chloro-5- Cyano Pyridine

23. 2-chloro -5-(cyano)pyridine

24. 2-chloro Pyridine-5-carbonitrile

25. 2-chloro-pyridine-5-carbonitrile

26. 6-chloro-3-pyridine Carbonitrile

27. 6-chloro-3-pyridine-carbonitrile

28. Dtxsid80408888

29. Zinc166496

30. Act05444

31. Bcp11416

32. Bbl100899

33. Cl0236

34. Stl554693

35. Akos000121128

36. 6-chloro-3-pyridinecarbonitrile, 97%

37. Ab03166

38. Ac-2475

39. Cs-w020115

40. Sb11104

41. Bp-21215

42. Sy001536

43. Db-010164

44. Am20051078

45. Ft-0621083

46. En300-25566

47. A18645

48. 252c287

49. 11x-0845

50. J-400295

51. Q-101239

52. F0001-0983

2.3 Create Date
2005-09-26
3 Chemical and Physical Properties
Molecular Weight 138.55 g/mol
Molecular Formula C6H3ClN2
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass137.9984758 g/mol
Monoisotopic Mass137.9984758 g/mol
Topological Polar Surface Area36.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity137
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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