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3-(6-chloropyrazin-2-yl)H-imidazo[1,2-a]pyridine
3-(6-chloropyrazin-2-yl)H-imidazo[1,2-a]pyridine
ID: BP-11696
Supplier:BroadPharm

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SMILES:c1(n2c(nc1)cccc2)c1nc(Cl)cnc1	
FORMULA: C11H7ClN4
MASS: 230.6531
EXACT MASS: 230.0359239
INTERATOMIC DISTANCES

              C   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.6007     0.0000 
   N   3    0.9726     0.9718     0.0000 
   C   4    0.9718     0.6010     0.5989     0.0000 
   C   5    0.5991     0.9706     0.6024     0.9708     0.0000 
   C   6    0.5959     1.0653     1.5508     1.5492     1.0656     0.0000 
   N   7    1.0383     1.2526     1.9998     1.8368     1.6042     0.5998 
   C   8    1.0952     0.5975     1.5363     1.0375     1.5601     1.3510 
   C   9    1.5852     1.8514     2.5577     2.4324     2.1046     1.0396 
   N  10    1.5834     2.1042     2.4317     2.5551     1.8490     1.0395 
   C  11    1.5393     1.0398     1.0949     0.6000     1.5628     2.0869 
   C  12    1.6200     1.0378     1.7889     1.1985     1.9834     1.9443 
   C  13    1.7919     1.2000     1.6200     1.0398     1.9855     2.2461 
   C  14    1.0346     1.6024     1.8333     1.9950     1.2473     0.6008 
  Cl  15    2.0727     2.2177     3.0307     2.8178     2.6312     1.5836 
   C  16    1.7997     2.2069     2.7415     2.7406     2.2058     1.2038 

              N   7      C   8      C   9      N  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    1.2569     0.0000 
   C   9    0.5989     1.8146     0.0000 
   N  10    1.1964     2.3460     1.0357     0.0000 
   C  11    2.2768     1.1985     2.8743     3.1150     0.0000 
   C  12    1.8412     0.6000     2.3744     2.9460     1.0375     0.0000 
   C  13    2.2780     1.0378     2.8492     3.2829     0.6010     0.5975 
   C  14    1.0387     1.9479     1.2004     0.6018     2.5729     2.5366 
  Cl  15    1.0344     2.0261     0.5966     1.5814     3.1835     2.5100 
   C  16    1.0394     2.2950     0.5995     0.5998     3.2466     2.8805 

              C  13      C  14     Cl  15      C  16
              --------------------------------------------
   C  13    0.0000 
   C  14    2.8014     0.0000 
  Cl  15    3.0510     1.7971     0.0000 
   C  16    3.3061     1.0436     1.0354     0.0000 



ATOMIC CHARGES
   C   1    0.1037271187
   N   2   -0.2873796365
   N   3   -0.2248469407
   C   4    0.1478628079
   C   5    0.1195736018
   C   6    0.1189684933
   N   7   -0.2292641973
   C   8    0.0814860451
   C   9    0.1574277825
   N  10   -0.2381991918
   C  11    0.0374281319
   C  12    0.0191371214
   C  13    0.0046398792
   C  14    0.1195408998
  Cl  15   -0.0596732848
   C  16    0.1295713695


BOND ANGLES
   2    1    5  Nar  Car  Car    108.000
   2    1    6  Nar  Car  Car    125.825
   5    1    6  Car  Car  Car    126.175
   1    2    4  Car  Nar  Car    107.932
   1    2    8  Car  Nar  Car    132.151
   4    2    8  Car  Nar  Car    119.917
   4    3    5  Car  Nar  Car    107.820
   2    4   11  Nar  Car  Car    119.944
   2    4    3  Nar  Car  Nar    108.156
   3    4   11  Nar  Car  Car    131.900
   1    5    3  Car  Car  Nar    108.092
   1    6    7  Car  Car  Nar    120.545
   1    6   14  Car  Car  Car    119.652
   7    6   14  Nar  Car  Car    119.804
   6    7    9  Car  Nar  Car    120.281
   2    8   12  Nar  Car  Car    120.140
   7    9   15  Nar  Car   Cl    119.807
   7    9   16  Nar  Car  Car    120.296
  15    9   16   Cl  Car  Car    119.897
  14   10   16  Car  Nar  Car    120.563
   4   11   13  Car  Car  Car    119.944
   8   12   13  Car  Car  Car    120.140
  11   13   12  Car  Car  Car    119.917
   6   14   10  Car  Car  Nar    119.624
   9   16   10  Car  Car  Nar    119.432


TORSION ANGLES
   4    2    1    5      0.026
   4    2    1    6    179.974
   8    2    1    5    179.974
   8    2    1    6      0.026
   4    3    5    1      0.026
  11    4    2    1    179.974
  11    4    2    8      0.026
   3    4    2    1      0.026
   3    4    2    8    179.974
   3    5    1    2      0.026
   3    5    1    6    179.974
   7    6    1    2      0.026
   7    6    1    5    179.974
  14    6    1    2    179.974
  14    6    1    5      0.026
   9    7    6    1    179.974
   9    7    6   14      0.026
  12    8    2    1    179.974
  12    8    2    4      0.026
  15    9    7    6    179.974
  16    9    7    6      0.026
  16   10   14    6      0.026
  13   11    4    2      0.026
  13   11    4    3    179.974
  13   12    8    2      0.026
  12   13   11    4      0.026
  10   14    6    1    179.974
  10   14    6    7      0.026
   9   16   10   14      0.026
   2    4    3    5      0.026
  11    4    3    5    179.974
  10   16    9    7      0.026
  10   16    9   15    179.974
   8   12   13   11      0.026