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    2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde manufacturers and suppliers on PharmaCompass

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    BUILDING BLOCK

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    Chemistry

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    Also known as: 1211443-55-8, 2-chloro-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidine-6-carboxaldehyde, 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde, Schembl1993255, Soxvkqlljzhytl-uhfffaoysa-n, Cs-b1521
    Molecular Formula
    C12H12ClN3O
    Molecular Weight
    249.69  g/mol
    InChI Key
    SOXVKQLLJZHYTL-UHFFFAOYSA-N
    2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde
    1 2D Structure

    2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde
    2.1.2 InChI
    InChI=1S/C12H12ClN3O/c13-12-14-6-8-5-10(7-17)16(11(8)15-12)9-3-1-2-4-9/h5-7,9H,1-4H2
    2.1.3 InChI Key
    SOXVKQLLJZHYTL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCC(C1)N2C(=CC3=CN=C(N=C32)Cl)C=O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1211443-55-8

    2. 2-chloro-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidine-6-carboxaldehyde

    3. 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde

    4. Schembl1993255

    5. Soxvkqlljzhytl-uhfffaoysa-n

    6. Cs-b1521

    7. Mfcd29041988

    8. Akos027335881

    9. Cs-13286

    10. Sy355107

    11. Db-217248

    12. F50770

    2.3 Create Date
    2012-08-19
    3 Chemical and Physical Properties
    Molecular Weight 249.69 g/mol
    Molecular Formula C12H12ClN3O
    XLogP32.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area47.8
    Heavy Atom Count17
    Formal Charge0
    Complexity296
    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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