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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 29452-57-1, 4-amino-pyridine-3-sulfonic acid, 4-amino-3-pyridinesulfonic acid, Mfcd04114242, 4-aminopyridin-3-ylsulphonic acid, 3-pyridinesulfonic acid, 4-amino-
    Molecular Formula
    C5H6N2O3S
    Molecular Weight
    174.18  g/mol
    InChI Key
    VOMYEVOVADPHCK-UHFFFAOYSA-N
    CAS 29452-57-1
    1 2D Structure

    CAS 29452-57-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-aminopyridine-3-sulfonic acid
    2.1.2 InChI
    InChI=1S/C5H6N2O3S/c6-4-1-2-7-3-5(4)11(8,9)10/h1-3H,(H2,6,7)(H,8,9,10)
    2.1.3 InChI Key
    VOMYEVOVADPHCK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CN=CC(=C1N)S(=O)(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 29452-57-1

    2. 4-amino-pyridine-3-sulfonic Acid

    3. 4-amino-3-pyridinesulfonic Acid

    4. Mfcd04114242

    5. 4-aminopyridin-3-ylsulphonic Acid

    6. 3-pyridinesulfonic Acid, 4-amino-

    7. 4-amino-3-pyridinesulphonic Acid

    8. 4-aminopyridine-3-sulfonicacid

    9. Schembl4808842

    10. 3-pyridinesulfonicacid,4-amino-

    11. 4-azanylpyridine-3-sulfonic Acid

    12. Dtxsid60376576

    13. Akos002665625

    14. Ab18016

    15. Cs-0450568

    16. Ft-0646097

    17. A819922

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 174.18 g/mol
    Molecular Formula C5H6N2O3S
    XLogP3-0.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area102
    Heavy Atom Count11
    Formal Charge0
    Complexity220
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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