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2D Structure
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

1 2D Structure

2D Structure

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