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2D Structure
Also known as: 59886-90-7, 4-chloro-2,3-dimethylpyridine n-oxide, 4-chloro-2,3-dimethylpyridine-n-oxide, 4-chloro-2,3-dimethyl-1-oxidopyridin-1-ium, 4-chloro-2,3-dimethyl-pyridine 1-oxide, Pyridine, 4-chloro-2,3-dimethyl-, 1-oxide
Molecular Formula
C7H8ClNO
Molecular Weight
157.60  g/mol
InChI Key
MCUYHRNUDDANSO-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-chloro-2,3-dimethyl-1-oxidopyridin-1-ium
2.1.2 InChI
InChI=1S/C7H8ClNO/c1-5-6(2)9(10)4-3-7(5)8/h3-4H,1-2H3
2.1.3 InChI Key
MCUYHRNUDDANSO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=C[N+](=C1C)[O-])Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 59886-90-7

2. 4-chloro-2,3-dimethylpyridine N-oxide

3. 4-chloro-2,3-dimethylpyridine-n-oxide

4. 4-chloro-2,3-dimethyl-1-oxidopyridin-1-ium

5. 4-chloro-2,3-dimethyl-pyridine 1-oxide

6. Pyridine, 4-chloro-2,3-dimethyl-, 1-oxide

7. 4-chloro-2,3-dimethylpyridine1-oxide

8. 2,3-dimethyl-4-chloropyridinen-oxide

9. 2,3-dimethyl 4-chloro Pyridine N-oxide

10. 2,3-dimethyl-4-chloropyridine N-oxide

11. 2,3-dimethyl-4-chloropyridine-n-oxide

12. Schembl712432

13. Act01302

14. Amy14652

15. Bcp14823

16. Zinc1562480

17. Mfcd06411125

18. Nsc275262

19. 4-chlor-2,3-dimethylpyridine-n-oxide

20. Akos006293605

21. 4-chlor-2,3-dimethylpyridine-1-oxide

22. Nsc-275262

23. Sb37866

24. 2,3-dimethyl-4-chloropyridine 1-oxide

25. 2,3-dimethyl-4-chloro-pyridine N-oxide

26. 201605-38-1

27. Ac-15813

28. As-10877

29. Db-000677

30. Ft-0602429

31. J-514920

32. 4-chloro-2,3-dimethylpyridine 1-oxide;2,3-dimethyl-4-chloropyridine N-oxide

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 157.60 g/mol
Molecular Formula C7H8ClNO
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass157.0294416 g/mol
Monoisotopic Mass157.0294416 g/mol
Topological Polar Surface Area25.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity120
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1