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    Chemistry

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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

    API Reference Price

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    11-Mar-2021
    29-Oct-2024
    KGS
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