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    Chemistry

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    Also known as: 1056039-83-8, 2-(2-methyl-2h-tetrazol-5-yl)pyridine-5-boronic acid pinacol ester, 2-(2-methyltetrazol-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, Schembl2147791, Amy30676, Bcp11710
    Molecular Formula
    C13H18BN5O2
    Molecular Weight
    287.13  g/mol
    InChI Key
    VOEFRGFXMMXFGK-UHFFFAOYSA-N
    CAS 1056039-83-8
    1 2D Structure

    CAS 1056039-83-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(2-methyltetrazol-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
    2.1.2 InChI
    InChI=1S/C13H18BN5O2/c1-12(2)13(3,4)21-14(20-12)9-6-7-10(15-8-9)11-16-18-19(5)17-11/h6-8H,1-5H3
    2.1.3 InChI Key
    VOEFRGFXMMXFGK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)C3=NN(N=N3)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1056039-83-8

    2. 2-(2-methyl-2h-tetrazol-5-yl)pyridine-5-boronic Acid Pinacol Ester

    3. 2-(2-methyltetrazol-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

    4. Schembl2147791

    5. Amy30676

    6. Bcp11710

    7. Cs-m3230

    8. Mfcd18382903

    9. Zinc197927468

    10. Da-15921

    11. Ds-11372

    12. Ft-0728918

    13. J3.579.543j

    14. A895983

    15. 2-(2-methyl-2h-tetrazole-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)pyridine

    2.3 Create Date
    2009-07-15
    3 Chemical and Physical Properties
    Molecular Weight 287.13 g/mol
    Molecular Formula C13H18BN5O2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count2
    Exact Mass287.1553550 g/mol
    Monoisotopic Mass287.1553550 g/mol
    Topological Polar Surface Area75 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity379
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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