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Also known as: 15861-24-2, 1h-indole-5-carbonitrile, Indole-5-carbonitrile, 5-cyano-1h-indole, 5-cyano indole, Mfcd00005669
Molecular Formula
C9H6N2
Molecular Weight
142.16  g/mol
InChI Key
YHYLDEVWYOFIJK-UHFFFAOYSA-N

CAS 15861-24-2
1 2D Structure

CAS 15861-24-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1H-indole-5-carbonitrile
2.1.2 InChI
InChI=1S/C9H6N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11H
2.1.3 InChI Key
YHYLDEVWYOFIJK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C=CN2)C=C1C#N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 15861-24-2

2. 1h-indole-5-carbonitrile

3. Indole-5-carbonitrile

4. 5-cyano-1h-indole

5. 5-cyano Indole

6. Mfcd00005669

7. Chembl294926

8. 1h-indole-5-carbonitrile, Homopolymer

9. 91201-84-2

10. Einecs 239-986-4

11. 5-cyano-indole

12. 5-indolecarbonitrile

13. Indol-5-carbonitrile

14. Indole, 5-cyano-

15. Schembl91366

16. Indole-5-carbonitrile, 99%

17. Dtxsid40166477

18. Zinc157017

19. Act03557

20. Albb-022905

21. Bcp26499

22. Cs-m1444

23. Str04400

24. Bdbm50220678

25. Stk802138

26. Akos005206715

27. Ac-7424

28. Cg-0514

29. Pb25883

30. Sb20070

31. Ncgc00340972-01

32. 240812-99-1

33. Bp-10151

34. Sy006206

35. Db-014571

36. Am20060210

37. Ft-0627223

38. Ft-0627224

39. 61c242

40. C-8840

41. Ab01331743-02

42. F2158-0363

43. Z1741968206

44. A3327a31-2a0c-4860-8157-f2773de25b9e

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 142.16 g/mol
Molecular Formula C9H6N2
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass142.053098200 g/mol
Monoisotopic Mass142.053098200 g/mol
Topological Polar Surface Area39.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity191
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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