3075702
  -OEChem-04252402292D

 24 25  0     1  0  0  0  0  0999 V2000
    2.0000   -1.7514    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4550    1.2145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2486    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1621   -0.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4209    0.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7043    0.6260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0016   -0.6091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7610   -0.1707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0198    0.7952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5814    1.5546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1450    1.7514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.7264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.7264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.0586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 19  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  6  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3075702

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
168

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAEAAAAAAAAAAAAAABYAAAAAAAsAAAAAAAAAAABgAAAHgIQAAAACC7hkiY8hpLIFACgADBnRASCiCAxZyAI2KA/bpgOJuLFs5uHOCjk0BHY6AYwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-[[(2R)-azetidin-2-yl]methoxy]-2-chloro-pyridine

> <PUBCHEM_IUPAC_CAS_NAME>
5-[[(2R)-2-azetidinyl]methoxy]-2-chloropyridine

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-[[(2<I>R</I>)-azetidin-2-yl]methoxy]-2-chloropyridine

> <PUBCHEM_IUPAC_NAME>
5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-[[(2R)-azetidin-2-yl]methoxy]-2-chloranyl-pyridine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-[[(2R)-azetidin-2-yl]methoxy]-2-chloro-pyridine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
MKTAGSRKQIGEBH-SSDOTTSWSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
198.0559907

> <PUBCHEM_MOLECULAR_FORMULA>
C9H11ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
198.65

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CNC1COC2=CN=C(C=C2)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN[C@H]1COC2=CN=C(C=C2)Cl

> <PUBCHEM_CACTVS_TPSA>
34.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
198.0559907

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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  12  8
12  13  8
4  11  8
4  13  8
5  8  6
9  10  8
9  11  8

$$$$