Please Wait
Applying Filters...
menu
    • menu
    Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

    Virtual Booth

    Contact Supplier

    Jai Radhe Sales is your partner for all your sourcing needs.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    Egis is a Hungarian generic pharma company with 110 years history. Our activities incorporate all areas of the pharma value chain.

    Virtual Booth

    Contact Supplier

    Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    Menu

    CAS 1452-94-4

    BUILDING BLOCK

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 1452-94-4, Ethyl 2-chloropyridine-3-carboxylate, 2-chloronicotinic acid ethyl ester, 3-pyridinecarboxylic acid, 2-chloro-, ethyl ester, Ethyl-2-chloronicotinate, Ethyl chloronicotinate
    Molecular Formula
    C8H8ClNO2
    Molecular Weight
    185.61  g/mol
    InChI Key
    PMIMPBYTPPRBGD-UHFFFAOYSA-N
    FDA UNII
    7C4MMV3FW4
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 2-chloropyridine-3-carboxylate
    2.1.2 InChI
    InChI=1S/C8H8ClNO2/c1-2-12-8(11)6-4-3-5-10-7(6)9/h3-5H,2H2,1H3
    2.1.3 InChI Key
    PMIMPBYTPPRBGD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=C(N=CC=C1)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    7C4MMV3FW4
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1452-94-4

    2. Ethyl 2-chloropyridine-3-carboxylate

    3. 2-chloronicotinic Acid Ethyl Ester

    4. 3-pyridinecarboxylic Acid, 2-chloro-, Ethyl Ester

    5. Ethyl-2-chloronicotinate

    6. Ethyl Chloronicotinate

    7. Ethyl 2-chloro-3-pyridinecarboxylate

    8. Mfcd00674129

    9. 7c4mmv3fw4

    10. 2-chloro-3-pyridinecarboxylic Acid Ethyl Ester

    11. Flunixin Impurity C

    12. Ethyl 2chloronicotinate

    13. Ethyl 2-chloro-nicotinate

    14. Ethyl 2-chloro Nicotinate

    15. Unii-7c4mmv3fw4

    16. Schembl49913

    17. Ethyl Chloronicotinate [usp]

    18. Dtxsid20383842

    19. Pmimpbytpprbgd-uhfffaoysa-n

    20. 2-chloro Nicotinic Acid Ethyl Ester

    21. Bcp23392

    22. Flunixin Meglumine Impurity C [ep]

    23. Str07620

    24. 2-chloro-3-(ethoxycarbonyl)pyridine

    25. Fd9099

    26. Stl582231

    27. Akos000121098

    28. Cs-w016932

    29. Hy-w016216

    30. Ps-4615

    31. Sb52288

    32. Ac-14189

    33. Sy005168

    34. Db-002147

    35. Am20050817

    36. E0844

    37. Ns00124409

    38. En300-35343

    39. 2-chloro-3-pyridinecarboxylic Acid, Ethyl Ester

    40. 2-chloro-pyridine-3-carboxylic Acid Ethyl Ester

    41. 2-chloro-(3-pyridinecarboxylic Acid) Ethyl Ester

    42. Flunixin Meglumine Impurity C [ep Impurity]

    43. Q-103410

    44. Z53834299

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 185.61 g/mol
    Molecular Formula C8H8ClNO2
    XLogP32
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area39.2
    Heavy Atom Count12
    Formal Charge0
    Complexity163
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1