CAS 86604-75-3

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BUILDING BLOCK

13 Suppliers, 13 End Use APIs, 27 Related Intermediates

13 Suppliers
13 End Use APIs
27 Related Intermediates

Chemistry

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Also known as: 86604-75-3, 2-chloromethyl-3,5-dimethyl-4-methoxypyridine hydrochloride, 2-chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride, 2-chloromethyl-3,5-dimethyl-4-methoxy pyridine hydrochloride, Jne3843ne3, 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride

Molecular Formula

C₉H₁₃Cl₂NO

Molecular Weight

222.11 g/mol

InChI Key

LCJDHJOUOJSJGS-UHFFFAOYSA-N

FDA UNII

JNE3843NE3

1 2D Structure

CAS 86604-75-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride

2.1.2 InChI

InChI=1S/C9H12ClNO.ClH/c1-6-5-11-8(4-10)7(2)9(6)12-3;/h5H,4H2,1-3H3;1H

2.1.3 InChI Key

LCJDHJOUOJSJGS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CN=C(C(=C1OC)C)CCl.Cl

2.2 Other Identifiers

2.2.1 UNII

JNE3843NE3

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 86604-75-3

2. 2-chloromethyl-3,5-dimethyl-4-methoxypyridine Hydrochloride

3. 2-chloromethyl-4-methoxy-3,5-dimethylpyridine Hydrochloride

4. 2-chloromethyl-3,5-dimethyl-4-methoxy Pyridine Hydrochloride

5. Jne3843ne3

6. 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride

7. 2-chloromethyl-3,5-dimethyl-4-methoxypyridine, Hcl

8. Mfcd00277472

9. 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine Hcl

10. 2-(chloromethyl)-3,5-dimethyl-4-methoxypyridine Hydrochloride

11. Pyridine, 2-(chloromethyl)-4-methoxy-3,5-dimethyl-, Hydrochloride

12. 2-chloromethyl-4-methoxy-3,5-dimethylpyridine Hydrochloride, 98%

13. Omeprazole Intermediate

14. Ec 617-892-8

15. Unii-jne3843ne3

16. Schembl311423

17. 2-chloromethyl-4-methoxy-3,5-dimethylpyridinehydrochloride

18. Dtxsid80470727

19. Act01332

20. Amy16516

21. Bcp04510

22. Omeprazole Related Compound 13 Hcl

23. Ab2770

24. Cc-993

25. Akos005258306

26. Pyridine, 2-(chloromethyl)-4-methoxy-3,5-dimethyl-, Hydrochloride (1:1)

27. Ac-1882

28. Hl-0755

29. Pb15688

30. Bp-12052

31. Sy039165

32. Db-020938

33. Cs-0016107

34. Ft-0602779

35. Omeprazole Impurity Xi [ep Impurity]

36. En300-31489

37. 2-chloromethyl-3,5-dimethyl-4-methoxypyridine Hcl

38. 2-chloromethyl-4-methoxy-3,5-dimethyl-pyridine Hcl

39. J-509028

40. 2-chloromethyl-3,5-dimethyl-4-methoxypyridinium Chloride

41. F8880-0800

42. 2-chloromethyl-4-methoxy-3.5-dimethylpyridine Hyrochloride

43. 3,5-dimethyl-2-chloromethyl-4-methoxypyridine Hydrochloride

44. 2-(chloromethyl)-3,5-dimethyl-4-methoxy Pyridine Hydrochloride

45. 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridinehydrochloride

46. 2-chloromethyl 3,5-dimethyl-4-methoxyl Pyridine Hydrochloride

47. 2-chloromethyl-4-methoxy-3,5-dimethyl-pyridine Hydrochloride

48. 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine--hydrogen Chloride (1/1)

49. 2-(chloromethyl)-3,5-dimethyl-4-pyridinyl Methyl Ether Hydrochloride

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₃Cl₂NO
Molecular Weight	222.11 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	221.0374194 g/mol
Monoisotopic Mass	221.0374194 g/mol
Topological Polar Surface Area	22.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	143
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	2