11031065
  -OEChem-04252417172D

 27 29  0     1  0  0  0  0  0999 V2000
    5.9030   -3.3514    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3176    2.8144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0539   -1.6259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8398    0.8659    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5810    1.8318    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2125    0.2739    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5545    1.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4408    0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1820    1.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6351   -0.6324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0615   -1.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6313   -0.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4841   -2.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4803   -2.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0598    0.0449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3610    2.6528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7805   -0.1709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7488    1.8023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1403    1.0104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6358   -0.2315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    0.1793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5880    1.1452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9871    1.9116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276    3.3514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4439   -1.3976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9869   -0.2117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1285   -2.8658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 24  1  0  0  0  0
  3 12  1  0  0  0  0
  3 14  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 15  1  1  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  6  0  0  0
  6  7  1  0  0  0  0
  6 10  1  6  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11031065

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
221

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAEAAAAAAAAAAAAAAAAAWLAAAA8QAAAAAAAAAABgAAAHAIQAAAADSrBGiQ8gJLIEACgAjBnRACCgCAxByAI2KA4ZpgIIOLBk5GEIAhgkADIyAcQgMAOgAAAAAAAAAAAAACAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,2R,4R)-2-(6-chloro-3-pyridyl)-7-azabicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,2R,4R)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>,2<I>R</I>,4<I>R</I>)-2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_NAME>
(1S,2R,4R)-2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,2R,4R)-2-(6-chloranylpyridin-3-yl)-7-azabicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,2R,4R)-2-(6-chloro-3-pyridyl)-7-azabicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9-,10+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
NLPRAJRHRHZCQQ-BBBLOLIVSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
208.0767261

> <PUBCHEM_MOLECULAR_FORMULA>
C11H13ClN2

> <PUBCHEM_MOLECULAR_WEIGHT>
208.69

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC2C(CC1N2)C3=CN=C(C=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C[C@H]2[C@H](C[C@@H]1N2)C3=CN=C(C=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
24.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
208.0767261

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
10  12  8
11  13  8
13  14  8
3  12  8
3  14  8
4  15  5
5  16  6
6  10  6

$$$$