CAS 37699-43-7

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8 End Use APIs
41 Related Intermediates

Chemistry

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Also known as: 37699-43-7, 2,3-dimethyl-4-nitropyridine-n-oxide, 2,3-dimethyl-4-nitropyridine n-oxide, 4-nitro-2,3-lutidine-n-oxide, Pyridine, 2,3-dimethyl-4-nitro-, 1-oxide, 4-nitro-2,3-lutidine n-oxide

Molecular Formula

C₇H₈N₂O₃

Molecular Weight

168.15 g/mol

InChI Key

CFMTVTYBZMKULI-UHFFFAOYSA-N

FDA UNII

V7T97WM6BA

1 2D Structure

CAS 37699-43-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3-dimethyl-4-nitro-1-oxidopyridin-1-ium

2.1.2 InChI

InChI=1S/C7H8N2O3/c1-5-6(2)8(10)4-3-7(5)9(11)12/h3-4H,1-2H3

2.1.3 InChI Key

CFMTVTYBZMKULI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=C[N+](=C1C)[O-])[N+](=O)[O-]

2.2 Other Identifiers

2.2.1 UNII

V7T97WM6BA

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 37699-43-7

2. 2,3-dimethyl-4-nitropyridine-n-oxide

3. 2,3-dimethyl-4-nitropyridine N-oxide

4. 4-nitro-2,3-lutidine-n-oxide

5. Pyridine, 2,3-dimethyl-4-nitro-, 1-oxide

6. 4-nitro-2,3-lutidine N-oxide

7. 2,3-dimethyl-4-nitro-1-oxidopyridin-1-ium

8. 2,3-dimethyl-4-nitropyridin-1-ium-1-olate

9. Mfcd00065172

10. V7t97wm6ba

11. Brn 1569438

12. 4-nitro-2,3-dimethylpyridine N-oxide

13. 2,3-dimethyl-4-nitropyridine-1-oxide

14. 2,3-dimethyl-4-nitro-1-oxido-pyridin-1-ium

15. Unii-v7t97wm6ba

16. Schembl539611

17. Dtxsid50191134

18. Act01397

19. Zinc4831092

20. 2,3-dimethyl-4-nitropyridin-n-oxide

21. Akos015842336

22. Ac-1174

23. Gs-6808

24. 4-nitro-2,3-lutidine N-oxide, 97%

25. 2,3-dimethyl-4-nitro-pyridine 1-oxide

26. Sy014302

27. Db-019781

28. A6436

29. Cs-0135023

30. D2905

31. Ft-0609698

32. 2,3-dimethyl-4-nitro Pyridine-n-oxide

33. F11238

34. Dimethyl-4-nitropyridine 1-oxide, 2,3-

35. W-202546

36. 2,3-dimethyl-4-nitro-pyridine 1-oxide;2,3-dimethyl-4-nitropyridine N-oxide

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₇H₈N₂O₃
Molecular Weight	168.15 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	168.05349212 g/mol
Monoisotopic Mass	168.05349212 g/mol
Topological Polar Surface Area	71.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	180
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