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    BUILDING BLOCK

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    Chemistry

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    Also known as: 245765-66-6, 5-bromo-n,3-dimethyl-2-pyridinamine, 5-bromo-3-methyl-2-(methylamino)pyridine, (5-bromo-3-methylpyridin-2-yl)methylamine, Schembl2967953, Dtxsid00592854
    Molecular Formula
    C7H9BrN2
    Molecular Weight
    201.06  g/mol
    InChI Key
    QTBNIBCNVQMGPP-UHFFFAOYSA-N
    CAS 245765-66-6
    1 2D Structure

    CAS 245765-66-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-bromo-N,3-dimethylpyridin-2-amine
    2.1.2 InChI
    InChI=1S/C7H9BrN2/c1-5-3-6(8)4-10-7(5)9-2/h3-4H,1-2H3,(H,9,10)
    2.1.3 InChI Key
    QTBNIBCNVQMGPP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=CN=C1NC)Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 245765-66-6

    2. 5-bromo-n,3-dimethyl-2-pyridinamine

    3. 5-bromo-3-methyl-2-(methylamino)pyridine

    4. (5-bromo-3-methylpyridin-2-yl)methylamine

    5. Schembl2967953

    6. Dtxsid00592854

    7. Vja76566

    8. Mfcd10000482

    9. Zinc42783835

    10. Akos015834291

    11. Am803577

    12. Da-38915

    13. N-(5-bromo-3-methyl-2-pyridyl)methylamine

    14. Bb 0260325

    15. Cs-0037390

    16. Ft-0752628

    17. (5-bromo-3-methyl-pyridin-2-yl)-methyl-amine

    18. A877872

    19. J-517034

    2.3 Create Date
    2007-12-04
    3 Chemical and Physical Properties
    Molecular Weight 201.06 g/mol
    Molecular Formula C7H9BrN2
    XLogP32.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass199.99491 g/mol
    Monoisotopic Mass199.99491 g/mol
    Topological Polar Surface Area24.9 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity108
    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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