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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

CAS 59886-90-7
1 2D Structure

CAS 59886-90-7

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

BUILDING BLOCK

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