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2-Amino-4-Methyl-5-Nitro pyridine
2-Amino-4-Methyl-5-Nitro pyridine ID: API-9481
CAS:21901-40-6
Supplier:APIchem

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SMILES:[O-][N+](=O)c1c(cc(nc1)N)C	ChemMol.com
FORMULA: C6H7N3O2
MASS: 153.1387
EXACT MASS: 153.0538265
INTERATOMIC DISTANCES

              O   1      O   2      N   3      N   4      N   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    1.7321     0.0000 
   N   3    3.0000     3.4641     0.0000 
   N   4    1.0001     1.0000     2.6457     0.0000 
   N   5    4.5826     4.5826     1.7321     4.0000     0.0000 
   C   6    2.6458     2.0000     2.0000     1.7320     2.6458     0.0000 
   C   7    1.7321     1.7320     1.7320     1.0000     3.0000     1.0000 
   C   8    3.4641     2.9999     1.7320     2.6457     1.7321     1.0000 
   C   9    3.0000     1.7320     3.0000     2.0000     3.4641     1.0000 
   C  10    3.6055     3.6055     1.0000     2.9999     1.0001     1.7320 
   C  11    2.0000     2.6457     1.0000     1.7320     2.6458     1.7320 
   H  12    4.0131     3.3533     2.2901     3.1408     1.8397     1.4158 
   H  13    2.4825     1.1120     3.0634     1.4955     3.8121     1.1766 
   H  14    3.3533     1.8396     3.6200     2.3715     4.0131     1.6200 
   H  15    3.5505     2.3520     3.0634     2.5558     3.1995     1.1766 
   H  16    1.7732     2.8292     1.4158     1.8397     3.1409     2.2901 
   H  17    4.8213     5.0104     1.8397     4.3433     0.6200     3.1408 
   H  18    5.0105     4.8212     2.2901     4.3433     0.6200     2.8292 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    1.7320     1.7320     0.0000 
   C  10    2.0000     1.0000     2.6457     0.0000 
   C  11    1.0000     2.0000     2.6457     1.7320     0.0000 
   H  12    2.2901     0.6201     1.8397     1.4158     2.6200     0.0000 
   H  13    1.5200     2.1114     0.6200     2.9083     2.5121     2.3470 
   H  14    2.2901     2.2901     0.6200     3.2380     3.2380     2.2901 
   H  15    2.1114     1.5200     0.6200     2.5121     2.9083     1.4245 
   H  16    1.4158     2.6200     3.1408     2.2901     0.6201     3.2401 
   H  17    3.3533     2.2901     4.0131     1.4158     2.8292     2.4522 
   H  18    3.3533     1.8397     3.5192     1.4158     3.1408     1.7320 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.8768     0.0000 
   H  15    1.2400     0.8768     0.0000 
   H  16    2.9171     3.7058     3.4625     0.0000 
   H  17    4.3170     4.5801     3.7870     3.2380     0.0000 
   H  18    3.9475     4.0130     3.1552     3.6740     1.0739     0.0000 




ATOMIC CHARGES
   O   1   -0.5759917976
   O   2    0.0415005628
   N   3   -0.2339841877
   N   4    0.0814542893
   N   5   -0.3431254279
   C   6    0.0314020694
   C   7    0.2939873816
   C   8   -0.0127556631
   C   9   -0.0331281010
   C  10    0.1168028508
   C  11    0.1069146052
   H  12    0.0656454179
   H  13    0.0279664592
   H  14    0.0279664592
   H  15    0.0279664592
   H  16    0.0899651242
   H  17    0.1437067493
   H  18    0.1437067493


BOND ANGLES
  10    3   11  Car  Nar  Car    119.999
   1    4    2   O-  Ntr   O2    119.998
   1    4    7   O-  Ntr  Car    120.001
   2    4    7   O2  Ntr  Car    120.001
  10    5   17  Car  Npl   HC    119.998
  10    5   18  Car  Npl   HC    120.000
  17    5   18   HC  Npl   HC    120.002
   7    6    8  Car  Car  Car    119.999
   7    6    9  Car  Car   C3    120.001
   8    6    9  Car  Car   C3    120.001
   4    7    6  Ntr  Car  Car    119.999
   4    7   11  Ntr  Car  Car    120.001
   6    7   11  Car  Car  Car    120.001
   6    8   10  Car  Car  Car    120.001
   6    8   12  Car  Car   HC    120.002
  10    8   12  Car  Car   HC    119.997
   6    9   13  Car   C3   HC     90.000
   6    9   14  Car   C3   HC    179.974
   6    9   15  Car   C3   HC     90.000
  13    9   14   HC   C3   HC     90.000
  13    9   15   HC   C3   HC    179.974
  14    9   15   HC   C3   HC     90.000
   3   10    5  Nar  Car  Npl    120.001
   3   10    8  Nar  Car  Car    120.001
   5   10    8  Npl  Car  Car    119.998
   3   11    7  Nar  Car  Car    120.001
   3   11   16  Nar  Car   HC    120.002
   7   11   16  Car  Car   HC    119.997


TORSION ANGLES
  11    3   10    5    179.974
  11    3   10    8      0.026
  10    3   11    7      0.026
  10    3   11   16    179.974
   1    4    7    6    179.974
   1    4    7   11      0.026
   2    4    7    6      0.026
   2    4    7   11    179.974
  17    5   10    3      0.026
  17    5   10    8    179.974
  18    5   10    3    179.974
  18    5   10    8      0.026
   8    6    7    4    179.974
   8    6    7   11      0.026
   9    6    7    4      0.026
   9    6    7   11    179.974
   7    6    8   10      0.026
   7    6    8   12    179.974
   9    6    8   10    179.974
   9    6    8   12      0.026
   7    6    9   13      0.026
   7    6    9   14    180.000
   7    6    9   15    179.974
   8    6    9   13    179.974
   8    6    9   14    180.000
   8    6    9   15      0.026
   4    7   11    3    179.974
   4    7   11   16      0.026
   6    7   11    3      0.026
   6    7   11   16    179.974
   6    8   10    3      0.026
   6    8   10    5    179.974
  12    8   10    3    179.974
  12    8   10    5      0.026