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    CAS 5470-70-2

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 5470-70-2, Methyl 6-methylpyridine-3-carboxylate, Methyl-6-methylnicotinate, Etoricoxib impurity e, 6-methylnicotinic acid methyl ester, 6-methyl-nicotinic acid methyl ester
    Molecular Formula
    C8H9NO2
    Molecular Weight
    151.16  g/mol
    InChI Key
    VYPPZXZHYDSBSJ-UHFFFAOYSA-N
    FDA UNII
    YA0K0CM5PK
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 6-methylpyridine-3-carboxylate
    2.1.2 InChI
    InChI=1S/C8H9NO2/c1-6-3-4-7(5-9-6)8(10)11-2/h3-5H,1-2H3
    2.1.3 InChI Key
    VYPPZXZHYDSBSJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=NC=C(C=C1)C(=O)OC
    2.2 Other Identifiers
    2.2.1 UNII
    YA0K0CM5PK
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 5470-70-2

    2. Methyl 6-methylpyridine-3-carboxylate

    3. Methyl-6-methylnicotinate

    4. Etoricoxib Impurity E

    5. 6-methylnicotinic Acid Methyl Ester

    6. 6-methyl-nicotinic Acid Methyl Ester

    7. Methyl 6-methyl Nicotinate

    8. 3-(methoxycarbonyl)-6-methylpyridine

    9. Nsc-27973

    10. Methyl 6-methyl-3-pyridinecarboxylate

    11. Methyl 6-methylaminonicotinate

    12. 3-pyridinecarboxylic Acid, 6-methyl-, Methyl Ester

    13. 6-methyl Nicotinic Acid Methyl Ester

    14. Ya0k0cm5pk

    15. 6-methylpyridine-3-carboxylic Acid Methyl Ester

    16. 6-methyl(pyridine-3-carboxylic Acid)methyl Ester

    17. 6-methyl-3-pyridinecarboxylic Acid Methyl Ester

    18. Mfcd00006340

    19. 6-methyl Methyl Smoke

    20. Unii-ya0k0cm5pk

    21. Nsc27973

    22. Methyl=6-methylnicotinate

    23. 5-carbomethoxy-2-picoline

    24. Methyl-6-methyl Nicotinate

    25. Schembl64763

    26. Chembl3126027

    27. Dtxsid80282781

    28. Zinc157000

    29. Act02408

    30. Albb-026631

    31. Bcp26781

    32. Cs-m0627

    33. 5-methoxycarbonyl-2-methyl-pyridine

    34. Methyl 6-methylpyridin-3-carboxylate

    35. Methyl 2-methyl-5-pyridinecarboxylate

    36. Akos009117898

    37. Ac-1358

    38. Fs-1777

    39. Sb40776

    40. Sy002953

    41. Db-005451

    42. Am20061310

    43. Ft-0621241

    44. M1893

    45. Methyl 6-methylpyridine-3-carboxylate, 97%

    46. En300-42459

    47. 70m702

    48. 6-methyl-pyridine-3-carboxylic Acid Methyl Ester

    49. Q-101980

    50. Q27294418

    51. 2-benzylamino-cyclohexanecarboxylicacidhydrochloride

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 151.16 g/mol
    Molecular Formula C8H9NO2
    XLogP31.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass151.063328530 g/mol
    Monoisotopic Mass151.063328530 g/mol
    Topological Polar Surface Area39.2 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity147
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1