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2-chloro-6-methyl-3-nitro-pyridine
2-chloro-6-methyl-3-nitro-pyridine ID: AN-1971
CAS:56057-19-3
Supplier:AN PharmaTech Co Ltd

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SMILES:Clc1nc(ccc1[N+](=O)[O-])C	1268230
FORMULA: C6H5ClN2O2
MASS: 172.5691
EXACT MASS: 172.0039551
INTERATOMIC DISTANCES

             Cl   1      O   2      O   3      N   4      N   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   O   2    3.0000     0.0000 
   O   3    1.7320     1.7320     0.0000 
   N   4    1.7321     3.4641     3.0000     0.0000 
   N   5    2.0000     1.0000     1.0000     2.6458     0.0000 
   C   6    2.6458     3.6056     3.6055     1.0000     3.0000     0.0000 
   C   7    1.7320     1.7320     1.7320     1.7321     1.0000     2.0000 
   C   8    3.0000     3.0000     3.4641     1.7320     2.6458     1.0000 
   C   9    2.6458     2.0000     2.6458     2.0000     1.7321     1.7320 
   C  10    1.0000     2.6457     2.0000     1.0001     1.7320     1.7321 
   C  11    3.4641     4.5826     4.5826     1.7320     4.0000     1.0000 
   H  12    3.6200     3.3533     4.0130     2.2900     3.1408     1.4158 
   H  13    3.1408     1.7733     2.8292     2.6200     1.8397     2.2901 
   H  14    3.1995     4.7390     4.5067     1.5200     4.0477     1.1766 
   H  15    4.0131     5.1928     5.1928     2.2901     4.6201     1.6200 
   H  16    3.8121     4.5067     4.7390     2.1114     4.0478     1.1766 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7321     0.0000 
   C   9    1.0001     1.0000     0.0000 
   C  10    1.0000     2.0000     1.7321     0.0000 
   C  11    3.0000     1.7320     2.6457     2.6458     0.0000 
   H  12    2.2901     0.6200     1.4157     2.6200     1.8397     0.0000 
   H  13    1.4158     1.4158     0.6200     2.2901     3.1407     1.6199 
   H  14    3.0634     2.1114     2.9083     2.5121     0.6200     2.3470 
   H  15    3.6201     2.2901     3.2380     3.2380     0.6201     2.2901 
   H  16    3.0634     1.5200     2.5121     2.9083     0.6200     1.4245 

              H  13      H  14      H  15      H  16
              --------------------------------------------
   H  13    0.0000 
   H  14    3.4624     0.0000 
   H  15    3.7058     0.8769     0.0000 
   H  16    2.9170     1.2399     0.8768     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0551199546
   O   2   -0.5759596993
   O   3    0.0415408570
   N   4   -0.2343149722
   N   5    0.0827547446
   C   6    0.0403334267
   C   7    0.3095622428
   C   8   -0.0341456608
   C   9    0.0204221118
   C  10    0.2070576897
   C  11   -0.0223001538
   H  12    0.0637454872
   H  13    0.0686758483
   H  14    0.0292493442
   H  15    0.0292493442
   H  16    0.0292493442


BOND ANGLES
   6    4   10  Car  Nar  Car    120.001
   2    5    3   O-  Ntr   O2    120.001
   2    5    7   O-  Ntr  Car    120.001
   3    5    7   O2  Ntr  Car    119.999
   4    6    8  Nar  Car  Car    120.001
   4    6   11  Nar  Car   C3    119.999
   8    6   11  Car  Car   C3    120.001
   5    7    9  Ntr  Car  Car    120.001
   5    7   10  Ntr  Car  Car    120.001
   9    7   10  Car  Car  Car    119.998
   6    8    9  Car  Car  Car    120.001
   6    8   12  Car  Car   HC    120.002
   9    8   12  Car  Car   HC    119.998
   7    9    8  Car  Car  Car    120.001
   7    9   13  Car  Car   HC    119.998
   8    9   13  Car  Car   HC    120.001
   1   10    4   Cl  Car  Nar    120.001
   1   10    7   Cl  Car  Car    120.001
   4   10    7  Nar  Car  Car    119.998
   6   11   14  Car   C3   HC     89.999
   6   11   15  Car   C3   HC    179.974
   6   11   16  Car   C3   HC     90.001
  14   11   15   HC   C3   HC     90.005
  14   11   16   HC   C3   HC    179.974
  15   11   16   HC   C3   HC     89.995


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