
 A-85380

 24 25  0  0  0  0  0  0  0  0999 V2000
   -0.2419   -1.8524    0.5687 C   0  0  0  0  0
    0.2963   -1.9368    2.0039 C   0  0  0  0  0
   -0.0045   -0.4929    2.1654 N   0  0  0  0  0
    0.0939   -0.3497    0.6809 C   0  0  0  0  0
   -0.8960    0.6515    0.0796 C   0  0  0  0  0
   -2.2043    0.4108    0.6132 O   0  0  0  0  0
   -3.2429    0.9556   -0.0836 C   0  0  0  0  0
   -3.1703    1.9919   -1.0067 C   0  0  0  0  0
   -4.2342    2.4709   -1.6985 N   0  0  0  0  0
   -5.4294    1.8983   -1.4420 C   0  0  0  0  0
   -5.6120    0.8812   -0.5199 C   0  0  0  0  0
   -4.4983    0.4117    0.1721 C   0  0  0  0  0
    0.3121   -2.4140   -0.1871 H   0  0  0  0  0
   -1.3084   -2.0901    0.4829 H   0  0  0  0  0
    1.3662   -2.1669    2.0713 H   0  0  0  0  0
   -0.2506   -2.6002    2.6793 H   0  0  0  0  0
   -0.9584   -0.3218    2.4972 H   0  0  0  0  0
    1.1180   -0.1209    0.3535 H   0  0  0  0  0
   -0.8907    0.5262   -1.0097 H   0  0  0  0  0
   -0.5871    1.6726    0.3295 H   0  0  0  0  0
   -2.2391    2.4984   -1.2361 H   0  0  0  0  0
   -6.2646    2.2914   -2.0147 H   0  0  0  0  0
   -6.5953    0.4598   -0.3464 H   0  0  0  0  0
   -4.6065   -0.3882    0.8996 H   0  0  0  0  0
  1  4  1  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  2 16  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  5  6  1  0  0  0
  5 19  1  0  0  0
  5 20  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 21  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 22  1  0  0  0
 11 12  2  0  0  0
 11 23  1  0  0  0
 12 24  1  0  0  0
M  END

>  <Chemical Name>
A-85380

>  <PubChem CID>
5310969

>  <Formula>
C9H12N2O

>  <Molecular Weight>
164.208000

>  <IUPAC Name>
3-[[(2S)-azetidin-2-yl]methoxy]pyridine

>  <XlogP>
0.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CNC1COC2=CN=CC=C2

>  <Isomeric SMILES>
C1CN[C@@H]1COC2=CN=CC=C2

>  <InChI Std. ID>
InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1

>  <InChI Key>
XKFMBGWHHBCWCD-QMMMGPOBSA-N

