Sign In Join Free

Products Information

6-chloro-1,8a-dihydro-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
6-chloro-1,8a-dihydro-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
ID: BP-11999
Supplier:BroadPharm

Get a quote


SMILES:N12C(=C(NC1C=CC(=C2)Cl)C)C(=O)NN	
FORMULA: C9H11ClN4O
MASS: 226.6628
EXACT MASS: 226.0621387
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.6008     0.0000 
   C   3    0.9724     0.6026     0.0000 
   C   4    0.6000     0.9726     0.9724     0.0000 
   N   5    0.9726     0.9750     0.6026     0.6008     0.0000 
   C   6    1.1199     0.5975     1.0057     1.5682     1.5216     0.0000 
   C   7    0.5975     1.0933     1.5616     1.0378     1.5380     1.4452 
   C   8    1.0378     1.5380     1.5616     0.5975     1.0933     2.1210 
   C   9    1.0375     1.6192     1.9853     1.1985     1.7907     2.0341 
   C  10    1.1985     1.7907     1.9853     1.0375     1.6192     2.3114 
   O  11    1.3495     1.0334     1.5607     1.9095     2.0084     0.5954 
   N  12    1.6307     1.0378     1.1429     1.9658     1.7422     0.6000 
  Cl  13    1.5829     2.1280     2.5508     1.7960     2.3871     2.4585 
   C  14    1.5542     1.0715     0.6000     1.5542     1.0715     1.1985 
   N  15    2.1532     1.5863     1.7438     2.5429     2.3431     1.0398 

              C   7      C   8      C   9      C  10      O  11      N  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.2000     0.0000 
   C   9    0.6010     1.0398     0.0000 
   C  10    1.0398     0.6010     0.6000     0.0000 
   O  11    1.4282     2.3854     2.0226     2.4322     0.0000 
   N  12    2.0282     2.5541     2.6053     2.8271     1.0341     0.0000 
  Cl  13    1.0375     1.5863     0.5975     1.0378     2.3198     3.0519 
   C  14    2.1280     2.1280     2.5800     2.5800     1.7932     1.0057 
   N  15    2.4674     3.1222     3.0638     3.3492     1.1958     0.6010 

             Cl  13      C  14      N  15
              ---------------------------------
  Cl  13    0.0000 
   C  14    3.1371     0.0000 
   N  15    3.4513     1.5447     0.0000 



ATOMIC CHARGES
   N   1   -0.2610150930
   C   2    0.1211645679
   C   3    0.0636813896
   C   4    0.1939257115
   N   5   -0.2175511315
   C   6    0.2969099736
   C   7    0.0784665044
   C   8    0.0167296686
   C   9    0.0723227331
   C  10    0.0115459470
   O  11   -0.2654716153
   N  12   -0.0875463937
  Cl  13   -0.0809101957
   C  14    0.0503538643
   N  15    0.0073940692


BOND ANGLES
   2    1    4   C2  Npl   C3    108.185
   2    1    7   C2  Npl   C2    131.676
   4    1    7   C3  Npl   C2    120.140
   1    2    3  Npl   C2   C2    107.816
   1    2    6  Npl   C2   C2    138.324
   3    2    6   C2   C2   C2    113.859
   2    3   14   C2   C2   C3    126.001
   2    3    5   C2   C2  Npl    107.998
   5    3   14  Npl   C2   C3    126.001
   1    4    5  Npl   C3  Npl    108.185
   1    4    8  Npl   C3   C2    120.140
   5    4    8  Npl   C3   C2    131.676
   3    5    4   C2  Npl   C3    107.816
   2    6   11   C2   C2   O2    120.070
   2    6   12   C2   C2  Nam    120.140
  11    6   12   O2   C2  Nam    119.790
   1    7    9  Npl   C2   C2    119.917
   4    8   10   C3   C2   C2    119.917
   7    9   10   C2   C2   C2    119.944
   7    9   13   C2   C2   Cl    119.917
  10    9   13   C2   C2   Cl    120.140
   8   10    9   C2   C2   C2    119.944
   6   12   15   C2  Nam   N3    119.944


TORSION ANGLES
   3    2    1    4      0.026
   3    2    1    7    179.974
   6    2    1    4    179.974
   6    2    1    7      0.026
  14    3    2    1    179.974
  14    3    2    6      0.026
   5    3    2    1      0.026
   5    3    2    6    179.974
   5    4    1    2      0.026
   5    4    1    7    179.974
   8    4    1    2    179.974
   8    4    1    7      0.026
   3    5    4    1      0.026
   3    5    4    8    179.974
  11    6    2    1      0.026
  11    6    2    3    179.974
  12    6    2    1    179.974
  12    6    2    3      0.026
   9    7    1    2    179.974
   9    7    1    4      0.026
  10    8    4    1      0.026
  10    8    4    5    179.974
  10    9    7    1      0.026
  13    9    7    1    179.974
   8   10    9    7      0.026
   8   10    9   13    179.974
  15   12    6    2    179.974
  15   12    6   11      0.026
   2    3    5    4      0.026
  14    3    5    4    179.974
   4    8   10    9      0.026


CHIRAL ATOMS
   4    8   10    9      0.026