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    176977-85-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 176977-85-8, Methyl 4-chloropyridine-2-carboxylate hydrochloride, 4-chloro-pyridine-2-carboxylic acid methyl ester hydrochloride, Methyl 4-chloro-2-pyridinecarboxylate hydrochloride, Methyl 4-chloropicolinate, hcl, Methyl 4-chloropicolinate hydrochloride salt
    Molecular Formula
    C7H7Cl2NO2
    Molecular Weight
    208.04  g/mol
    InChI Key
    PAGFSBPYVNFHAS-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 4-chloropyridine-2-carboxylate;hydrochloride
    2.1.2 InChI
    InChI=1S/C7H6ClNO2.ClH/c1-11-7(10)6-4-5(8)2-3-9-6;/h2-4H,1H3;1H
    2.1.3 InChI Key
    PAGFSBPYVNFHAS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C1=NC=CC(=C1)Cl.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 176977-85-8

    2. Methyl 4-chloropyridine-2-carboxylate Hydrochloride

    3. 4-chloro-pyridine-2-carboxylic Acid Methyl Ester Hydrochloride

    4. Methyl 4-chloro-2-pyridinecarboxylate Hydrochloride

    5. Methyl 4-chloropicolinate, Hcl

    6. Methyl 4-chloropicolinate Hydrochloride Salt

    7. 4-chloropyridine-2-carboxylic Acid Methyl Ester Hydrochloride

    8. Methyl 4-chloropyridine-2-carboxylate;hydrochloride

    9. Discontinued See M294457

    10. Methyl 4-chloropyridine-2-carboxylate,hydrochloride

    11. Schembl177902

    12. Dtxsid80586514

    13. Ab3942

    14. Methyl 4-chloropicolinate Hcl

    15. Mfcd05864729

    16. Akos015845730

    17. Cs-w015242

    18. Fs-4002

    19. Pb18698

    20. Db-001957

    21. Am20070186

    22. Ft-0652358

    23. Methyl 4-chloropyridine-2-carboxylate Hci Salt

    24. Methyl 4-chloropyridine-2-carboxylate Hcl Salt

    25. 977c858

    26. Methyl 4-chloropyridine-2-carboxylate Hcl

    27. J-522336

    28. 4-chloro-pyridine-2-carboxylic Acid Methyl Ester Hcl Salt

    29. 4-chloro-pyridine-2-carboxylic Acid Methyl Ester Hcl

    30. Methyl 4-chloropyridine-2-carboxylate--hydrogen Chloride (1/1)

    31. 4-chloro-pyridine-2-carboxylic Acid Methyl Ester Hydrochloride, Aldrichcpr

    2.3 Create Date
    2007-08-09
    3 Chemical and Physical Properties
    Molecular Weight 208.04 g/mol
    Molecular Formula C7H7Cl2NO2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass206.9853839 g/mol
    Monoisotopic Mass206.9853839 g/mol
    Topological Polar Surface Area39.2 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity151
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2