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    CAS 23612-57-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 23612-57-9, 2-aminopyridine-3-methanol, 2-amino-3-hydroxymethylpyridine, (2-amino-pyridin-3-yl)-methanol, (2-amino-3-pyridinyl)methanol, 2-amino-3-pyridinemethanol
    Molecular Formula
    C6H8N2O
    Molecular Weight
    124.14  g/mol
    InChI Key
    FEIACFYXEWBKHU-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2-aminopyridin-3-yl)methanol
    2.1.2 InChI
    InChI=1S/C6H8N2O/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2,(H2,7,8)
    2.1.3 InChI Key
    FEIACFYXEWBKHU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(N=C1)N)CO
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 23612-57-9

    2. 2-aminopyridine-3-methanol

    3. 2-amino-3-hydroxymethylpyridine

    4. (2-amino-pyridin-3-yl)-methanol

    5. (2-amino-3-pyridinyl)methanol

    6. 2-amino-3-pyridinemethanol

    7. 2-amino-3-(hydroxymethyl)pyridine

    8. 2-amino-3-hydroxymethyl Pyridine

    9. 3-pyridinemethanol, 2-amino-

    10. Mfcd05663510

    11. (2-aminopyridine-3-yl)-methanol

    12. R8a

    13. Schembl319001

    14. 3-hydroxymethyl-2-pyridinamine

    15. Chembl4438468

    16. (2-aminopyridin-3-yl)-methanol

    17. 2-amino3-(hydroxymethyl)pyridine

    18. Dtxsid00457151

    19. Act04341

    20. Bbl101172

    21. Stl554968

    22. Zinc19735472

    23. Akos005071555

    24. Aa-0706

    25. Ac-3564

    26. Cs-w003226

    27. Pb32383

    28. (2-aminopyridine-3-yl)methanol

    29. Sy007311

    30. Db-031286

    31. A4927

    32. Am20070184

    33. Ft-0650463

    34. (2-amino-pyridin-3-yl)-methanol, Aldrichcpr

    35. 612a579

    36. W-206838

    37. (2-aminopyridin-3-yl)methanol;2-amino-3-pyridinemethanol

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 124.14 g/mol
    Molecular Formula C6H8N2O
    XLogP30.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass124.063662883 g/mol
    Monoisotopic Mass124.063662883 g/mol
    Topological Polar Surface Area59.1 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity87.1
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1