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    CAS 16179-97-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 16179-97-8, 2-(pyridin-2-yl)acetic acid hydrochloride, 2-pyridineacetic acid hydrochloride, 2-pyridineacetic acid, hydrochloride, 2-pyridylacetic acid hcl, 2-pyridylacetic acid, hcl
    Molecular Formula
    C7H8ClNO2
    Molecular Weight
    173.60  g/mol
    InChI Key
    MQVISALTZUNQSK-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-pyridin-2-ylacetic acid;hydrochloride
    2.1.2 InChI
    InChI=1S/C7H7NO2.ClH/c9-7(10)5-6-3-1-2-4-8-6;/h1-4H,5H2,(H,9,10);1H
    2.1.3 InChI Key
    MQVISALTZUNQSK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=NC(=C1)CC(=O)O.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 16179-97-8

    2. 2-(pyridin-2-yl)acetic Acid Hydrochloride

    3. 2-pyridineacetic Acid Hydrochloride

    4. 2-pyridineacetic Acid, Hydrochloride

    5. 2-pyridylacetic Acid Hcl

    6. 2-pyridylacetic Acid, Hcl

    7. 2-pyridineacetic Acid, Hydrochloride (1:1)

    8. Pyridin-2-ylacetic Acid Hydrochloride

    9. Mfcd00012812

    10. Pyridylacetic Acid Hydrochloride

    11. (pyridin-2-yl)acetic Acid Hydrochloride

    12. 2-pyridylacetic Acid Hydrochloide

    13. 2-carboxymethylpyridinium Chloride

    14. Einecs 240-316-8

    15. Nsc 83227

    16. 2-(2-pyridyl)acetic Acid Hydrochloride

    17. Schembl334937

    18. Unii-7ym2824v24

    19. Dtxsid70884874

    20. 2-pyridinylacetic Acid Hydrochloride

    21. 2-pyridyl-acetic Acid Hydrochloride

    22. Act01316

    23. Amy10193

    24. Bcp25440

    25. Nsc83227

    26. 2'-pyridylacetic Acid Hydrochloride

    27. 2-pyridinyl-acetic Acid Hydrochloride

    28. Nsc-83227

    29. Akos009084667

    30. Pyridin-2-yl-acetic Acid Hydrochloride

    31. 7ym2824v24

    32. Ac-2897

    33. Cs-w017541

    34. Sb52233

    35. 2-pyridin-2-ylacetic Acid;hydrochloride

    36. 2-(pyridin-2-yl)aceticacidhydrochloride

    37. 2-pyridylacetic Acid Hydrochloride, 99%

    38. Sy003293

    39. Ts-02390

    40. Db-021523

    41. A3590

    42. Ft-0613399

    43. P1076

    44. En300-34537

    45. 179p978

    46. Q-100735

    47. W-107970

    48. Z234895189

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 173.60 g/mol
    Molecular Formula C7H8ClNO2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass173.0243562 g/mol
    Monoisotopic Mass173.0243562 g/mol
    Topological Polar Surface Area50.2 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity125
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2