
 61350-00-3

 25 26  0  0  0  0  0  0  0  0999 V2000
   -0.2258    1.9127   -1.1026 C   0  0  0  0  0
   -0.6333    0.5967   -1.3004 C   0  0  0  0  0
    0.3013   -0.4171   -1.1483 C   0  0  0  0  0
    1.5945   -0.2070   -0.8182 N   0  0  0  0  0
    1.9637    1.0942   -0.6297 C   0  0  0  0  0
    1.0972    2.1726   -0.7599 C   0  0  0  0  0
    3.4021    1.3249   -0.2673 C   0  0  0  0  0
    3.8098    2.4636   -0.0728 O   0  0  0  0  0
    4.1320    0.1530   -0.1981 N   0  0  0  0  0
    5.4967   -0.0079    0.0985 C   0  0  0  0  0
    6.3572    1.0499    0.3982 C   0  0  0  0  0
    7.7024    0.7979    0.6761 C   0  0  0  0  0
    8.2029   -0.5022    0.6589 C   0  0  0  0  0
    7.3500   -1.5624    0.3625 C   0  0  0  0  0
    6.0032   -1.3148    0.0848 C   0  0  0  0  0
    8.7600    2.1066    1.0446 Cl  0  0  0  0  0
   -0.9326    2.7307   -1.2148 H   0  0  0  0  0
   -1.6593    0.3662   -1.5681 H   0  0  0  0  0
    0.0207   -1.4570   -1.2940 H   0  0  0  0  0
    1.4441    3.1887   -0.6002 H   0  0  0  0  0
    3.5854   -0.6819   -0.4013 H   0  0  0  0  0
    6.0059    2.0759    0.4219 H   0  0  0  0  0
    9.2507   -0.6924    0.8744 H   0  0  0  0  0
    7.7316   -2.5801    0.3466 H   0  0  0  0  0
    5.3548   -2.1571   -0.1452 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  3  4  2  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 20  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 21  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 16  1  0  0  0
 13 14  1  0  0  0
 13 23  1  0  0  0
 14 15  2  0  0  0
 14 24  1  0  0  0
 15 25  1  0  0  0
M  END

>  <Chemical Name>
61350-00-3

>  <PubChem CID>
836002

>  <Formula>
C12H9ClN2O

>  <Molecular Weight>
232.667000

>  <IUPAC Name>
N-(3-chlorophenyl)pyridine-2-carboxamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=NC(=C1)C(=O)NC2=CC(=CC=C2)Cl

>  <Isomeric SMILES>
C1=CC=NC(=C1)C(=O)NC2=CC(=CC=C2)Cl

>  <InChI Std. ID>
InChI=1S/C12H9ClN2O/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-14-11/h1-8H,(H,15,16)

>  <InChI Key>
SUYUTNCKIOLMAJ-UHFFFAOYSA-N

