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    CAS 253345-80-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 253345-80-1, (3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methanol hydrochloride, [3-methyl-4-(2,2,2-trifluoro-ethoxy)-pyridin-2-yl]-methanol hydrochloride, [3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanol;hydrochloride, [3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanol hydrochloride, 2-hydromethyl-3-methyl-4-(2,2,2-thifluoroethoxy) pyridine hydrochloride
    Molecular Formula
    C9H11ClF3NO2
    Molecular Weight
    257.64  g/mol
    InChI Key
    DXKSKMLOGCCLGP-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanol;hydrochloride
    2.1.2 InChI
    InChI=1S/C9H10F3NO2.ClH/c1-6-7(4-14)13-3-2-8(6)15-5-9(10,11)12;/h2-3,14H,4-5H2,1H3;1H
    2.1.3 InChI Key
    DXKSKMLOGCCLGP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=CN=C1CO)OCC(F)(F)F.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 253345-80-1

    2. (3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methanol Hydrochloride

    3. [3-methyl-4-(2,2,2-trifluoro-ethoxy)-pyridin-2-yl]-methanol Hydrochloride

    4. [3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanol;hydrochloride

    5. [3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanol Hydrochloride

    6. 2-hydromethyl-3-methyl-4-(2,2,2-thifluoroethoxy) Pyridine Hydrochloride

    7. 2-hydroxymethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine Hcl

    8. Schembl6591278

    9. Dtxsid50657725

    10. Dxkskmlogcclgp-uhfffaoysa-n

    11. Akos005063557

    12. Sb36199

    13. Cs-0133813

    14. Ft-0644130

    15. J-509679

    16. (3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methanol Hcl

    17. 2-hydroxy Methyl 3 Methyl 4(2,2,2 Trifluoro-ethoxy) Pyridine

    18. [3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanol--hydrogen Chloride (1/1)

    2.2.2 Other Synonyms

    1. 253345-80-1

    2. (3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methanol Hydrochloride

    3. [3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanol;hydrochloride

    4. [3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanol Hydrochloride

    2.3 Create Date
    2009-09-01
    3 Chemical and Physical Properties
    Molecular Weight 257.64 g/mol
    Molecular Formula C9H11ClF3NO2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area42.4
    Heavy Atom Count16
    Formal Charge0
    Complexity198
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2