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    CAS 86604-78-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 86604-78-6, 3,5-dimethyl-4-methoxy-2-pyridinemethanol, 4-methoxy-3,5-dimethyl-2-pyridinemethanol, 3,5-dimethyl-2-hydroxymethyl-4-methoxypyridine, 2-pyridinemethanol, 4-methoxy-3,5-dimethyl-, 4-methoxy-3,5-dimethylpyridine-2-methanol
    Molecular Formula
    C9H13NO2
    Molecular Weight
    167.20  g/mol
    InChI Key
    PSEPRWKZZJWRCB-UHFFFAOYSA-N
    FDA UNII
    GGY8VS6G2D
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4-methoxy-3,5-dimethylpyridin-2-yl)methanol
    2.1.2 InChI
    InChI=1S/C9H13NO2/c1-6-4-10-8(5-11)7(2)9(6)12-3/h4,11H,5H2,1-3H3
    2.1.3 InChI Key
    PSEPRWKZZJWRCB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CN=C(C(=C1OC)C)CO
    2.2 Other Identifiers
    2.2.1 UNII
    GGY8VS6G2D
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 86604-78-6

    2. 3,5-dimethyl-4-methoxy-2-pyridinemethanol

    3. 4-methoxy-3,5-dimethyl-2-pyridinemethanol

    4. 3,5-dimethyl-2-hydroxymethyl-4-methoxypyridine

    5. 2-pyridinemethanol, 4-methoxy-3,5-dimethyl-

    6. 4-methoxy-3,5-dimethylpyridine-2-methanol

    7. Ggy8vs6g2d

    8. 4-methoxy-3,5-dimethyl-2-hydroxymethylpyridine

    9. Mfcd01076195

    10. (4-methoxy-3,5-dimethyl-pyridin-2-yl)methanol

    11. 3,5-dimethyl-2-hydroxymethyl-4-methoxy-pyridine

    12. 2-hydroxymethyl-4-methoxy-3,5-dimethylpyridine

    13. 2-hydroxymethyl-3,5-dimethyl-4-methoxypyridine

    14. 4-methoxy-3,5-dimethyl-2-hydroxymethyl Pyridine

    15. Einecs 289-258-5

    16. Pyrmethylalcohol

    17. Pyrmethyl Alcohol

    18. 4-methoxy-3,5-dimethyl-2-pyridylmethanol

    19. Maybridge3_003975

    20. Unii-ggy8vs6g2d

    21. Ec 289-258-5

    22. 3,5-dimethyl-2-hydroxymethyl-4-methoxy Pyridine

    23. Omeprazole Related Compound 8

    24. Schembl1060082

    25. Dtxsid60235694

    26. Hms1442e15

    27. Zinc169159

    28. Act01310

    29. Bcp33027

    30. Am1206

    31. Ccg-56010

    32. Akos005256502

    33. 4-methoxy-3,5-dimethylpyridinemethanol

    34. Ac-1251

    35. Cs-w002741

    36. Fs-2628

    37. Pb29137

    38. Idi1_015362

    39. 2-hydroxymethyl-4-methoxy-3,5-lutidine

    40. Sy030191

    41. Db-013586

    42. Ft-0618887

    43. M1327

    44. (4-methoxy-3,5-dimethyl-2-pyridinyl)methanol

    45. 3,5 Dimethyl-2-hydroxymethyl-4-methoxypyridine

    46. 3,5-dimethyl-4-methoxy-2-hydroxymethylpyridine

    47. (4-methoxy-3,5-dimethyl-pyridin-2-yl)-methanol

    48. 2-(hydroxymethyl)-4-methoxy-3,5-dimethylpyridine

    49. 4-methoxy-3,5-dimethyl-2-pyridinemethanol, 98%

    50. 604m786

    51. Ae-641/40197951

    52. Sr-01000645003-1

    53. W-104060

    54. 2-hydroxymethyl-3.5-dimethyl-4-methoxypyridine

    2.4 Create Date
    2005-07-08
    3 Chemical and Physical Properties
    Molecular Weight 167.20 g/mol
    Molecular Formula C9H13NO2
    XLogP30.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass167.094628657 g/mol
    Monoisotopic Mass167.094628657 g/mol
    Topological Polar Surface Area42.4 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity141
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1