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    BUILDING BLOCK

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    Chemistry

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    Also known as: 639807-18-4, 2-cyclopropylaminonicotinic acid, 2-(cyclopropylamino)pyridine-3-carboxylic acid, Schembl4530207, 2-(cyclopropylamino)nicotinicacid, Dtxsid60434463
    Molecular Formula
    C9H10N2O2
    Molecular Weight
    178.19  g/mol
    InChI Key
    QVDNJGOBMXAPSJ-UHFFFAOYSA-N
    CAS 639807-18-4
    1 2D Structure

    CAS 639807-18-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(cyclopropylamino)pyridine-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C9H10N2O2/c12-9(13)7-2-1-5-10-8(7)11-6-3-4-6/h1-2,5-6H,3-4H2,(H,10,11)(H,12,13)
    2.1.3 InChI Key
    QVDNJGOBMXAPSJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC1NC2=C(C=CC=N2)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 639807-18-4

    2. 2-cyclopropylaminonicotinic Acid

    3. 2-(cyclopropylamino)pyridine-3-carboxylic Acid

    4. Schembl4530207

    5. 2-(cyclopropylamino)nicotinicacid

    6. Dtxsid60434463

    7. Mfcd11106728

    8. Zinc19769990

    9. Akos000214500

    10. Sb52506

    11. Ds-18954

    12. Cs-0157013

    13. C75999

    14. 2-(cyclopropylamino)-3-pyridine Carboxylic Acid

    15. A923096

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 178.19 g/mol
    Molecular Formula C9H10N2O2
    XLogP31.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass178.074227566 g/mol
    Monoisotopic Mass178.074227566 g/mol
    Topological Polar Surface Area62.2 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity204
    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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