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    CAS 2942-59-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2942-59-8, 2-chloropyridine-3-carboxylic acid, 2-chloro-3-pyridinecarboxylic acid, 3-pyridinecarboxylic acid, 2-chloro-, 2-chloro-nicotinic acid, Nicotinic acid, 2-chloro-
    Molecular Formula
    C6H4ClNO2
    Molecular Weight
    157.55  g/mol
    InChI Key
    IBRSSZOHCGUTHI-UHFFFAOYSA-N
    FDA UNII
    93G386213F
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-chloropyridine-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C6H4ClNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10)
    2.1.3 InChI Key
    IBRSSZOHCGUTHI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(N=C1)Cl)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    93G386213F
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2942-59-8

    2. 2-chloropyridine-3-carboxylic Acid

    3. 2-chloro-3-pyridinecarboxylic Acid

    4. 3-pyridinecarboxylic Acid, 2-chloro-

    5. 2-chloro-nicotinic Acid

    6. Nicotinic Acid, 2-chloro-

    7. Mfcd00006236

    8. 2-chloro Nicotinic Acid

    9. 3-carboxy-2-chloropyridine

    10. Nsc-378

    11. 93g386213f

    12. 2-chloronicotinicacid

    13. Nsc 378

    14. Unii-93g386213f

    15. Chloronicotinic Acid

    16. Einecs 220-937-0

    17. 2chloronicotinic Acid

    18. Cnis

    19. 2-choronicotinic Acid

    20. Niflumic Acid Impurity A

    21. Ec 220-937-0

    22. Flunixin Related Compound A

    23. Mls000332085

    24. Schembl353141

    25. Nsc378

    26. Chembl1505789

    27. Dtxsid9062726

    28. 2-chloropyridin-3-carboxylic Acid

    29. Hms2619a03

    30. Zinc164425

    31. 2-chloropyridine 3-carboxylic Acid

    32. Bcp27191

    33. 2-chloro-pyridine-3-carboxylic Acid

    34. Stk394287

    35. Akos000119897

    36. Ab00651

    37. Ac-2515

    38. Cs-w017965

    39. Ps-5333

    40. Sb40463

    41. Ncgc00246335-01

    42. Bp-11743

    43. Smr000221567

    44. Sy001758

    45. 2-chloropyridine-3-carboxylic Acid, 99%

    46. 3-pyridinecarboxylic Acid,2-chloro

    47. Db-005235

    48. A5493

    49. Am20051047

    50. Bb 0218348

    51. Flunixin Related Compound A [usp-rs]

    52. Ft-0601274

    53. 42c598

    54. P16536

    55. Ac-907/30003060

    56. Flunixin Related Compound A [usp Impurity]

    57. Flunixin Meglumine Impurity A [ep Impurity]

    58. Q-200263

    59. Q27271592

    60. F2191-0179

    61. Niflumic Acid Impurity A, European Pharmacopoeia (ep) Reference Standard

    62. Flunixin Related Compound A, United States Pharmacopeia (usp) Reference Standard

    63. 960360-14-9

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 157.55 g/mol
    Molecular Formula C6H4ClNO2
    XLogP31.3
    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