
 MPEP

 26 27  0  0  0  0  0  0  0  0999 V2000
    1.0321   -0.0624   -0.0655 C   0  0  0  0  0
    2.5251    0.0137    0.0482 C   0  0  0  0  0
    3.1544    1.2506    0.1681 C   0  0  0  0  0
    4.5429    1.2932    0.2577 C   0  0  0  0  0
    5.2630    0.1048    0.2175 C   0  0  0  0  0
    4.5571   -1.0809    0.0871 C   0  0  0  0  0
    3.2106   -1.1528    0.0034 N   0  0  0  0  0
    5.2348   -2.3328   -0.0094 C   0  0  0  0  0
    5.8200   -3.3759   -0.1309 C   0  0  0  0  0
    6.5260   -4.6040   -0.3227 C   0  0  0  0  0
    7.8201   -4.5869   -0.8494 C   0  0  0  0  0
    8.5043   -5.7849   -1.0636 C   0  0  0  0  0
    7.8962   -7.0003   -0.7507 C   0  0  0  0  0
    6.6060   -7.0194   -0.2206 C   0  0  0  0  0
    5.9203   -5.8218   -0.0057 C   0  0  0  0  0
    0.6921   -1.1027   -0.0410 H   0  0  0  0  0
    0.7045    0.3838   -1.0095 H   0  0  0  0  0
    0.5591    0.4682    0.7666 H   0  0  0  0  0
    2.5756    2.1684    0.1895 H   0  0  0  0  0
    5.0586    2.2446    0.3507 H   0  0  0  0  0
    6.3456    0.1082    0.2759 H   0  0  0  0  0
    8.2983   -3.6439   -1.1020 H   0  0  0  0  0
    9.5086   -5.7692   -1.4790 H   0  0  0  0  0
    8.4273   -7.9330   -0.9222 H   0  0  0  0  0
    6.1315   -7.9669    0.0212 H   0  0  0  0  0
    4.9122   -5.8449    0.4015 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  4  5  2  0  0  0
  4 20  1  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  8  9  3  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 22  1  0  0  0
 12 13  2  0  0  0
 12 23  1  0  0  0
 13 14  1  0  0  0
 13 24  1  0  0  0
 14 15  2  0  0  0
 14 25  1  0  0  0
 15 26  1  0  0  0
M  END

>  <Chemical Name>
MPEP

>  <PubChem CID>
3025961

>  <Formula>
C14H11N

>  <Molecular Weight>
193.249000

>  <IUPAC Name>
2-methyl-6-(2-phenylethynyl)pyridine

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC1=CC=CC(=N1)C#CC2=CC=CC=C2

>  <Isomeric SMILES>
CC1=CC=CC(=N1)C#CC2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3

>  <InChI Key>
NEWKHUASLBMWRE-UHFFFAOYSA-N

