CAS 91591-63-8

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Also known as: 91591-63-8, 2,5-dichloro-4,6-dimethylpyridine-3-carbonitrile, 2,5-dichloro-4,6-dimethyl-3-pyridinecarbonitrile, 3-pyridinecarbonitrile, 2,5-dichloro-4,6-dimethyl-, Mfcd00052631, 3-cyano-2,5-dichloro-4,6-dimethylpyridine

Molecular Formula

C₈H₆Cl₂N₂

Molecular Weight

201.05 g/mol

InChI Key

UCGWYTUBYASPFG-UHFFFAOYSA-N

FDA UNII

NL7PQ926CN

1 2D Structure

CAS 91591-63-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,5-dichloro-4,6-dimethylpyridine-3-carbonitrile

2.1.2 InChI

InChI=1S/C8H6Cl2N2/c1-4-6(3-11)8(10)12-5(2)7(4)9/h1-2H3

2.1.3 InChI Key

UCGWYTUBYASPFG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=NC(=C1Cl)C)Cl)C#N

2.2 Other Identifiers

2.2.1 UNII

NL7PQ926CN

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 91591-63-8

2. 2,5-dichloro-4,6-dimethylpyridine-3-carbonitrile

3. 2,5-dichloro-4,6-dimethyl-3-pyridinecarbonitrile

4. 3-pyridinecarbonitrile, 2,5-dichloro-4,6-dimethyl-

5. Mfcd00052631

6. 3-cyano-2,5-dichloro-4,6-dimethylpyridine

7. Nsc341973

8. 2,5-dichloro-3-cyano-4,6-dimethylpyridine

9. Schembl8471830

10. Dtxsid50319215

11. Bcp18750

12. Stk724629

13. Akos001751894

14. Gs-3527

15. Nsc 341973

16. Nsc-341973

17. Sy017930

18. 2,5-dichloro-4,6-dimethyl-nicotinonitrile

19. Am20070269

20. Cs-0010501

21. 3-pyridinecarbonitrile,5-dichloro-4,6-dimethyl-

22. A860323

23. Ag-205/41147734

24. Sr-01000533931

25. 3-pyridinecarbonitrile,2,5-dichloro-4,6-dimethyl-

26. J-803059

27. Sr-01000533931-1

28. W-204063

29. 2 Pound Not5-dichloro-4 Pound Not6-dimethylnicotinonitrile

30. 2,5-dichloro-4,6-dimethylnicotinonitrile;2,5-dichloro-4,6-dimethylpyridine-3-carbonitrile

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₆Cl₂N₂
Molecular Weight	201.05 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	36.7
Heavy Atom Count	12
Formal Charge	0
Complexity	210
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