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1H-imidazo[4,5-b]pyridine-7-carboxylic acid
1H-imidazo[4,5-b]pyridine-7-carboxylic acid ID: AN-36704
CAS:78316-08-2
Supplier:AN PharmaTech Co Ltd

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SMILES:OC(=O)c1c2[nH]cnc2ncc1	3433733
FORMULA: C7H5N3O2
MASS: 163.1335
EXACT MASS: 163.0381764
INTERATOMIC DISTANCES

              O   1      O   2      N   3      N   4      N   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    1.7320     0.0000 
   N   3    3.1698     1.9415     0.0000 
   N   4    4.2537     3.4375     1.6094     0.0000 
   N   5    3.6055     3.6055     2.5576     1.8228     0.0000 
   C   6    2.6457     2.0000     0.9941     1.6117     1.7320     0.0000 
   C   7    1.7320     1.7320     1.8228     2.5576     2.0000     1.0000 
   C   8    3.4641     3.0000     1.6117     0.9941     1.0000     1.0000 
   C   9    2.0000     2.6457     2.6956     2.9792     1.7320     1.7320 
   C  10    4.1097     2.9310     0.9940     0.9940     2.5962     1.6095 
   C  11    3.0000     3.4641     2.9792     2.6956     1.0000     2.0000 
   C  12    1.0000     1.0000     2.1710     3.3393     3.0000     1.7320 
   H  13    3.0765     1.5875     0.6201     2.2072     3.1227     1.4479 
   H  14    1.7732     2.8291     3.2152     3.5979     2.2900     2.2900 
   H  15    4.6173     3.2973     1.4478     1.4478     3.1774     2.2073 
   H  16    3.3533     4.0130     3.5979     3.2152     1.4157     2.6199 
   H  17    0.6200     1.8396     3.5403     4.7515     4.2100     3.1407 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    1.0000     2.0000     0.0000 
   C  10    2.5962     1.6095     3.3000     0.0000 
   C  11    1.7320     1.7320     1.0000     3.3000     0.0000 
   C  12    1.0000     2.6457     1.7320     3.1210     2.6457     0.0000 
   H  13    2.0433     2.2101     3.0069     1.4479     3.4394     2.0945 
   H  14    1.4157     2.6199     0.6200     3.8842     1.4158     1.8396 
   H  15    3.1774     2.2073     3.9140     0.6200     3.9140     3.6188 
   H  16    2.2900     2.2900     1.4158     3.8842     0.6200     3.1407 
   H  17    2.2901     4.0130     2.6200     4.5138     3.6200     1.4158 

              H  13      H  14      H  15      H  16      H  17
              -------------------------------------------------------
   H  13    0.0000 
   H  14    3.4575     0.0000 
   H  15    1.7221     4.4924     0.0000 
   H  16    4.0585     1.6200     4.4924     0.0000 
   H  17    3.3497     2.3716     4.9803     3.9665     0.0000 



ATOMIC CHARGES
   O   1   -0.4770766042
   O   2   -0.2450535892
   N   3   -0.3424703495
   N   4   -0.2165599471
   N   5   -0.2344118817
   C   6    0.0991672545
   C   7    0.0871386862
   C   8    0.1784881814
   C   9   -0.0274678346
   C  10    0.0962247721
   C  11    0.0308597568
   C  12    0.3389702935
   H  13    0.1668654447
   H  14    0.0641423472
   H  15    0.1027403102
   H  16    0.0830341617
   H  17    0.2954089980


BOND ANGLES
  12    1   17   C2   O3   HO    120.001
   6    3   10  Car  Nar  Car    108.103
   6    3   13  Car  Nar   HC    125.944
  10    3   13  Car  Nar   HC    125.953
   8    4   10  Car  Nar  Car    108.103
   8    5   11  Car  Nar  Car    119.999
   3    6    7  Nar  Car  Car    132.151
   3    6    8  Nar  Car  Car    107.848
   7    6    8  Car  Car  Car    120.001
   6    7    9  Car  Car  Car    119.999
   6    7   12  Car  Car   C2    120.001
   9    7   12  Car  Car   C2    120.001
   4    8    5  Nar  Car  Nar    132.151
   4    8    6  Nar  Car  Car    107.848
   5    8    6  Nar  Car  Car    120.001
   7    9   11  Car  Car  Car    120.001
   7    9   14  Car  Car   HC    119.998
  11    9   14  Car  Car   HC    120.002
   3   10    4  Nar  Car  Nar    108.098
   3   10   15  Nar  Car   HC    125.951
   4   10   15  Nar  Car   HC    125.951
   5   11    9  Nar  Car  Car    120.001
   5   11   16  Nar  Car   HC    119.998
   9   11   16  Car  Car   HC    120.002
   1   12    2   O3   C2   O2    119.999
   1   12    7   O3   C2  Car    120.001
   2   12    7   O2   C2  Car    120.001


TORSION ANGLES
  17    1   12    2      0.026
  17    1   12    7    179.974
  10    3    6    7    179.974
  10    3    6    8      0.026
  13    3    6    7      0.026
  13    3    6    8    179.974
   6    3   10    4      0.026
   6    3   10   15    179.974
  13    3   10    4    179.974
  13    3   10   15      0.026
  10    4    8    5    179.974
  10    4    8    6      0.026
   8    4   10    3      0.026
   8    4   10   15    179.974
  11    5    8    4    179.974
  11    5    8    6      0.026
   8    5   11    9      0.026
   8    5   11   16    179.974
   3    6    7    9    179.974
   3    6    7   12      0.026
   8    6    7    9      0.026
   8    6    7   12    179.974
   3    6    8    4      0.026
   3    6    8    5    179.974
   7    6    8    4    179.974
   7    6    8    5      0.026
   6    7    9   11      0.026
   6    7    9   14    179.974
  12    7    9   11    179.974
  12    7    9   14      0.026
   6    7   12    1    179.974
   6    7   12    2      0.026
   9    7   12    1      0.026
   9    7   12    2    179.974
   7    9   11    5      0.026
   7    9   11   16    179.974
  14    9   11    5    179.974
  14    9   11   16      0.026