20970-75-6

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CHEMISTRY

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BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 32 Related Intermediates

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1 End Use APIs
32 Related Intermediates

Chemistry

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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

20970-75-6

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 Formula	C₇H₆N₂
Molecular Weight	118.14 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	118.053098200 g/mol
Monoisotopic Mass	118.053098200 g/mol
Topological Polar Surface Area	36.7 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	133
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