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    BUILDING BLOCK

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    Chemistry

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    Also known as: 959163-01-0, 6-chloro-4-(ethylamino)pyridine-3-carbaldehyde, 6-chloro-4-(ethylamino)-3-pyridinecarboxaldehyde, Schembl4283556, Dtxsid801239397, Amy15523
    Molecular Formula
    C8H9ClN2O
    Molecular Weight
    184.62  g/mol
    InChI Key
    ANYFUZIGKSYQSU-UHFFFAOYSA-N
    CAS 959163-01-0
    1 2D Structure

    CAS 959163-01-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-chloro-4-(ethylamino)pyridine-3-carbaldehyde
    2.1.2 InChI
    InChI=1S/C8H9ClN2O/c1-2-10-7-3-8(9)11-4-6(7)5-12/h3-5H,2H2,1H3,(H,10,11)
    2.1.3 InChI Key
    ANYFUZIGKSYQSU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCNC1=CC(=NC=C1C=O)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 959163-01-0

    2. 6-chloro-4-(ethylamino)pyridine-3-carbaldehyde

    3. 6-chloro-4-(ethylamino)-3-pyridinecarboxaldehyde

    4. Schembl4283556

    5. Dtxsid801239397

    6. Amy15523

    7. Akos006371504

    8. 6-chloro-4-(ethyl Amino) Nicotinaldehyde

    9. Da-36295

    10. Ws-00847

    11. Cs-0097182

    12. Ft-0742461

    13. 6-chloro-4-ethylamino-pyridine-3-carbaldehyde

    14. D75861

    15. A929191

    16. A1-17071

    2.3 Create Date
    2012-01-24
    3 Chemical and Physical Properties
    Molecular Weight 184.62 g/mol
    Molecular Formula C8H9ClN2O
    XLogP32.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area42
    Heavy Atom Count12
    Formal Charge0
    Complexity154
    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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