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2D Structure
Also known as: 20970-75-6, 3-methylpicolinonitrile, 3-methylpyridine-2-carbonitrile, 3-methyl-2-pyridinecarbonitrile, 2-cyano-3-methyl pyridine, 2-pyridinecarbonitrile, 3-methyl-
Molecular Formula
C7H6N2
Molecular Weight
118.14  g/mol
InChI Key
WBXZCDIZXWDPBL-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-methylpyridine-2-carbonitrile
2.1.2 InChI
InChI=1S/C7H6N2/c1-6-3-2-4-9-7(6)5-8/h2-4H,1H3
2.1.3 InChI Key
WBXZCDIZXWDPBL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(N=CC=C1)C#N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 20970-75-6

2. 3-methylpicolinonitrile

3. 3-methylpyridine-2-carbonitrile

4. 3-methyl-2-pyridinecarbonitrile

5. 2-cyano-3-methyl Pyridine

6. 2-pyridinecarbonitrile, 3-methyl-

7. Pyridinecarbonitrile, Methyl-

8. 2-cyano-3-methyl-pyridine

9. Mfcd00190585

10. 2-cyano-3-picoline

11. Cyano-3-methylpyridine

12. 3-methyl-2-cyanopyridine

13. Schembl130043

14. 3-methylpicolinonitrile, 98%

15. 3-methyl-pyridine-2-carbonitrile

16. Dtxsid60943262

17. Zinc335976

18. Bcp16112

19. Str04655

20. Bbl011525

21. Sc4241

22. Stl146641

23. Akos005216045

24. Ac-4379

25. Cs-w016588

26. Sb22060

27. Bp-11859

28. Ts-01608

29. Db-025282

30. A4555

31. Am20070168

32. Ft-0612094

33. En300-39349

34. 3-methylpicolinonitrile;2-cyano-3-methylpyridine

35. 970c756

36. An-584/42118739

37. W-107584

38. F0001-0750

39. Z1198394166

2.3 Create Date
2005-07-08
3 Chemical and Physical Properties
Molecular Weight 118.14 g/mol
Molecular Formula C7H6N2
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass118.053098200 g/mol
Monoisotopic Mass118.053098200 g/mol
Topological Polar Surface Area36.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity133
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1