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    CAS 5326-23-8

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 5326-23-8, 6-chloropyridine-3-carboxylic acid, 6-chloro-3-pyridinecarboxylic acid, 3-pyridinecarboxylic acid, 6-chloro-, 6-chloro-nicotinic acid, 6chloronichotinicacid
    Molecular Formula
    C6H4ClNO2
    Molecular Weight
    157.55  g/mol
    InChI Key
    UAWMVMPAYRWUFX-UHFFFAOYSA-N
    FDA UNII
    99V0U0120A
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-chloropyridine-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C6H4ClNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H,9,10)
    2.1.3 InChI Key
    UAWMVMPAYRWUFX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=NC=C1C(=O)O)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    99V0U0120A
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 5326-23-8

    2. 6-chloropyridine-3-carboxylic Acid

    3. 6-chloro-3-pyridinecarboxylic Acid

    4. 3-pyridinecarboxylic Acid, 6-chloro-

    5. 6-chloro-nicotinic Acid

    6. 6chloronichotinicacid

    7. Mfcd00006241

    8. 6-chloro Nicotinic Acid

    9. 2-chloro-5-pyridinecarboxylic Acid

    10. Nsc-277

    11. 99v0u0120a

    12. 6-chloronicotinicacid

    13. Unii-99v0u0120a

    14. Nsc 277

    15. Einecs 226-201-5

    16. 2-chloroncotinic Acid

    17. 6--chloronicotinic Acid

    18. Mls000332521

    19. Schembl104580

    20. Nsc277

    21. Chembl1723657

    22. Dtxsid6063775

    23. Chebi:180996

    24. Hms2594d10

    25. Hms3380l09

    26. Zinc164579

    27. 3-carboxy-6-chloropyridine

    28. Nicotinic Acid, 6-chloro-

    29. 2-chlor-5-pyridine Carboxylic Acid

    30. Act02407

    31. Bcp27398

    32. Cs-d1204

    33. 2-chloro-5-pyridine Carboxylic Acid

    34. 6-chloro-pyridine-3-carboxylic Acid

    35. Bdbm50486226

    36. Cx1097

    37. Stk711128

    38. Akos000119704

    39. Ab00659

    40. Ac-2508

    41. Ps-5330

    42. Ncgc00246336-01

    43. 6-chloro-3-pyridinecaboxylic Acid

    44. 6-chloropyridin-3-carboxylic Acid

    45. Bp-12853

    46. Smr000221815

    47. Sy001709

    48. 2-chloropyridine-5-carboxylic Acid

    49. 6-chloropyridine-3-carboxylic Acid, 99%

    50. Db-024112

    51. Am20061288

    52. Bb 0242383

    53. Ft-0621081

    54. 26c238

    55. A15628

    56. 6-chloronicotinic Acid, Purum, >=97.0% (t)

    57. W-105758

    58. Q26841281

    59. 6-chloropyridine-3-carboxylic Acid, Analytical Standard

    60. F2191-0190

    61. Z256709192

    62. 6-chloropyridine-3-carboxylic Acid; 6-chloro-3-pyridinecarboxylic Acid; 3-pyridinecarboxylic Acid, 6-chloro-

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 157.55 g/mol
    Molecular Formula C6H4ClNO2
    XLogP32.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass156.9930561 g/mol
    Monoisotopic Mass156.9930561 g/mol
    Topological Polar Surface Area50.2 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity140
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1