
 3-[(4-chlorophenyl)methoxy]-6-methyl-2-nitropyridine

 30 31  0  0  0  0  0  0  0  0999 V2000
    0.4257    0.9437   -0.3087 C   0  0  0  0  0
    1.7902    0.4583    0.0830 C   0  0  0  0  0
    1.8770   -0.3281    1.1761 N   0  0  0  0  0
    3.1268   -0.7280    1.5775 C   0  0  0  0  0
    4.3108   -0.3447    0.9315 C   0  0  0  0  0
    4.1779    0.4454   -0.2106 C   0  0  0  0  0
    2.9127    0.8577   -0.6337 C   0  0  0  0  0
    5.5059   -0.7454    1.4574 O   0  0  0  0  0
    6.7021   -0.1633    0.9371 C   0  0  0  0  0
    7.8743   -0.5019    1.8320 C   0  0  0  0  0
    8.9376    0.4073    1.9568 C   0  0  0  0  0
   10.0397    0.1075    2.7611 C   0  0  0  0  0
   10.0916   -1.1078    3.4393 C   0  0  0  0  0
    9.0544   -2.0285    3.3139 C   0  0  0  0  0
    7.9526   -1.7296    2.5079 C   0  0  0  0  0
   11.4482   -1.4739    4.4321 Cl  0  0  0  0  0
    3.2802   -1.5912    2.7571 N   0  0  0  0  0
    2.9545   -1.1102    3.8532 O   0  0  0  0  0
    3.6975   -2.7471    2.5733 O   0  0  0  0  0
   -0.3506    0.3293    0.1562 H   0  0  0  0  0
    0.2935    0.8929   -1.3931 H   0  0  0  0  0
    0.2933    1.9786    0.0209 H   0  0  0  0  0
    5.0345    0.7666   -0.7954 H   0  0  0  0  0
    2.8099    1.4905   -1.5117 H   0  0  0  0  0
    6.5968    0.9280    0.9020 H   0  0  0  0  0
    6.9025   -0.5568   -0.0664 H   0  0  0  0  0
    8.9139    1.3602    1.4325 H   0  0  0  0  0
   10.8503    0.8248    2.8555 H   0  0  0  0  0
    9.0935   -2.9782    3.8408 H   0  0  0  0  0
    7.1500   -2.4608    2.4210 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 17  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 23  1  0  0  0
  7 24  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 27  1  0  0  0
 12 13  2  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 29  1  0  0  0
 15 30  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
M  CHG  2  17   1  19  -1
M  END

>  <Chemical Name>
3-[(4-chlorophenyl)methoxy]-6-methyl-2-nitropyridine

>  <PubChem CID>
4817362

>  <Formula>
C13H11ClN2O3

>  <Molecular Weight>
278.692000

>  <IUPAC Name>
3-[(4-chlorophenyl)methoxy]-6-methyl-2-nitropyridine

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NC(=C(C=C1)OCC2=CC=C(C=C2)Cl)[N+](=O)[O-]

>  <Isomeric SMILES>
CC1=NC(=C(C=C1)OCC2=CC=C(C=C2)Cl)[N+](=O)[O-]

>  <InChI Std. ID>
InChI=1S/C13H11ClN2O3/c1-9-2-7-12(13(15-9)16(17)18)19-8-10-3-5-11(14)6-4-10/h2-7H,8H2,1H3

>  <InChI Key>
ATVZXRMVIRRKAU-UHFFFAOYSA-N

