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    Also known as: 614-18-6, Ethyl pyridine-3-carboxylate, Ethyl nicotinoate, Ethylnicotinate, 3-pyridinecarboxylic acid, ethyl ester, Nicotinic acid ethyl ester
    Molecular Formula
    C8H9NO2
    Molecular Weight
    151.16  g/mol
    InChI Key
    XBLVHTDFJBKJLG-UHFFFAOYSA-N
    FDA UNII
    NIJ3H353YH
    Ethyl Nicotinate
    ethyl nicotinate is a natural product found in Areca catechu and Averrhoa carambola with data available.
    1 2D Structure

    Ethyl Nicotinate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl pyridine-3-carboxylate
    2.1.2 InChI
    InChI=1S/C8H9NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3
    2.1.3 InChI Key
    XBLVHTDFJBKJLG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=CN=CC=C1
    2.2 Other Identifiers
    2.2.1 UNII
    NIJ3H353YH
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-carboethoxypyridine

    2. Ethyl-nicotinate

    3. Ethylnicotinate

    4. Nicotinic Acid, Ethyl Ester

    2.3.2 Depositor-Supplied Synonyms

    1. 614-18-6

    2. Ethyl Pyridine-3-carboxylate

    3. Ethyl Nicotinoate

    4. Ethylnicotinate

    5. 3-pyridinecarboxylic Acid, Ethyl Ester

    6. Nicotinic Acid Ethyl Ester

    7. Ignicut

    8. Nicotinic Acid, Ethyl Ester

    9. Ethyl 3-pyridinecarboxylate

    10. Mucotherm

    11. Nicaethan

    12. Nikethan

    13. Nikithan

    14. Ignocut

    15. 3-picolinic Acid Ethyl Ester

    16. 3-carbethoxypyridine

    17. 3-(ethoxycarbonyl)pyridine

    18. Ba 2673

    19. Nsc 8872

    20. Nicotinic Acid-ethyl Ester

    21. 3-pyridinecarboxylic Acid Ethyl Ester

    22. Nij3h353yh

    23. 123574-71-0

    24. Nsc-8872

    25. Ncgc00166056-01

    26. .beta.-pyridinecarboxylic Acid Ethyl Ester

    27. Dsstox_cid_26526

    28. Dsstox_rid_81691

    29. Dsstox_gsid_46526

    30. Cas-614-18-6

    31. Nicotinic Acid,ethyl Ester

    32. Unii-nij3h353yh

    33. Mucotherm (tn)

    34. Einecs 210-370-7

    35. Nicotinic Acid Ethyl

    36. Mfcd00006389

    37. Beta-pyridinecarboxylic Acid Ethyl Ester

    38. 3-ethoxycarbonylpyridine

    39. Ai3-02579

    40. Ethyl Nicotinate, 99%

    41. Nicotine Acid Ethyl Ester

    42. Ethyl 3-pyridine Carboxylate

    43. Schembl24853

    44. Ethyl Nicotinate [inci]

    45. Chembl2251611

    46. Dtxsid9046526

    47. Ethyl Nicotinate [mart.]

    48. Nsc8872

    49. Chebi:192166

    50. Ethyl Nicotinate [who-dd]

    51. Zinc391815

    52. Bcp30661

    53. Tox21_112299

    54. Ethyl Nicotinate, Analytical Standard

    55. Akos000119658

    56. Pyridine-3-carboxylic Acid Ethyl Ester

    57. Tox21_112299_1

    58. Ab00748

    59. Cs-w014344

    60. Fs-3453

    61. Ncgc00166056-02

    62. Ac-22480

    63. Db-004042

    64. 3-pyridinecarboxylic Acid,ethyl Ester

    65. Am20061373

    66. Ft-0645165

    67. Ft-0652424

    68. Ft-0668338

    69. N0085

    70. D08274

    71. A805121

    72. A833209

    73. Q-100710

    74. Q16948611

    75. F0001-1619

    76. Z292799620

    77. 2,4-dimethoxy-n-[(e)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]aniline; Hydrogen Sulfate;ethyl Nicotinate

    78. Nicotinic Acid Ethyl Ester Pound>>3-carboethoxypyridine Pound>>ethyl 3-pyridinecarboxylate Pound>>3-picolinic Acid Ethyl Ester

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 151.16 g/mol
    Molecular Formula C8H9NO2
    XLogP31.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass151.063328530 g/mol
    Monoisotopic Mass151.063328530 g/mol
    Topological Polar Surface Area39.2 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity136
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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    05-Jan-2021
    09-Oct-2024
    KGS
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