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    CAS 86604-75-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    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

    2D Structure

    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 Weight 222.11 g/mol
    Molecular Formula C9H13Cl2NO
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass221.0374194 g/mol
    Monoisotopic Mass221.0374194 g/mol
    Topological Polar Surface Area22.1 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity143
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2