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3-Amino-2-bromo-4,6-dimethylpyridine
3-Amino-2-bromo-4,6-dimethylpyridine ID: API-28812
CAS:104829-98-3
Supplier:APIchem

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SMILES:Brc1nc(cc(c1N)C)C	ChemMol.com
FORMULA: C7H9BrN2
MASS: 201.0638
EXACT MASS: 199.9949103
INTERATOMIC DISTANCES

             Br   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Br   1    0.0000 
   N   2    1.7320     0.0000 
   N   3    2.0000     2.6458     0.0000 
   C   4    2.6458     2.0000     1.7320     0.0000 
   C   5    1.7321     1.7321     1.0000     1.0000     0.0000 
   C   6    3.0000     1.7321     2.6457     1.0000     1.7320     0.0000 
   C   7    2.6458     1.0001     3.0000     1.7320     2.0000     1.0000 
   C   8    3.4641     3.0000     2.0000     1.0000     1.7320     1.7320 
   C   9    1.0000     1.0000     1.7321     1.7321     1.0001     2.0000 
   C  10    3.4641     1.7321     4.0000     2.6457     3.0000     1.7320 
   H  11    3.6200     2.2901     3.1407     1.4158     2.2900     0.6200 
   H  12    3.1995     3.0634     1.4955     1.1766     1.5200     2.1114 
   H  13    4.0130     3.6200     2.3715     1.6199     2.2900     2.2900 
   H  14    3.8121     3.0634     2.5557     1.1766     2.1114     1.5200 
   H  15    3.8121     2.1115     4.0478     2.5121     3.0634     1.5200 
   H  16    4.0131     2.2901     4.6200     3.2380     3.6200     2.2901 
   H  17    3.1995     1.5201     4.0478     2.9083     3.0634     2.1114 
   H  18    1.7732     2.8292     0.6201     2.2901     1.4158     3.1408 
   H  19    2.6200     3.1408     0.6200     1.8397     1.4158     2.8292 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.6457     0.0000 
   C   9    1.7321     2.6458     0.0000 
   C  10    1.0000     3.4641     2.6458     0.0000 
   H  11    1.4157     1.8397     2.6200     1.8396     0.0000 
   H  12    2.9083     0.6200     2.5121     3.8121     2.3470     0.0000 
   H  13    3.2379     0.6200     3.2380     4.0130     2.2901     0.8768 
   H  14    2.5121     0.6200     2.9083     3.1995     1.4245     1.2399 
   H  15    1.1766     3.1995     2.9083     0.6200     1.4244     3.6267 
   H  16    1.6200     4.0130     3.2380     0.6200     2.2900     4.3934 
   H  17    1.1766     3.8121     2.5121     0.6200     2.3470     4.0840 
   H  18    3.3533     2.6200     1.8397     4.3433     3.6739     2.1060 
   H  19    3.3533     1.7732     2.2901     4.3433     3.2380     1.1752 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.8768     0.0000 
   H  15    3.6980     2.8441     0.0000 
   H  16    4.5379     3.6980     0.8768     0.0000 
   H  17    4.3934     3.6267     1.2400     0.8768     0.0000 
   H  18    2.9788     3.1721     4.4626     4.9592     4.3108     0.0000 
   H  19    2.0000     2.3825     4.3108     4.9591     4.4626     1.0739 

              H  19
              -----------
   H  19    0.0000 



ATOMIC CHARGES
  Br   1   -0.0267630196
   N   2   -0.2432709231
   N   3   -0.3557115126
   C   4   -0.0255416746
   C   5    0.0603405134
   C   6   -0.0359298676
   C   7    0.0398603854
   C   8   -0.0378321331
   C   9    0.1273103865
   C  10   -0.0223091446
   H  11    0.0638555405
   H  12    0.0278125180
   H  13    0.0278125180
   H  14    0.0278125180
   H  15    0.0292492712
   H  16    0.0292492712
   H  17    0.0292492712
   H  18    0.1424030409
   H  19    0.1424030409


BOND ANGLES
   7    2    9  Car  Nar  Car    119.998
   5    3   18  Car  Npl   HC    119.997
   5    3   19  Car  Npl   HC    120.002
  18    3   19   HC  Npl   HC    120.001
   5    4    6  Car  Car  Car    120.001
   5    4    8  Car  Car   C3    119.999
   6    4    8  Car  Car   C3    120.001
   3    5    4  Npl  Car  Car    120.001
   3    5    9  Npl  Car  Car    119.998
   4    5    9  Car  Car  Car    120.001
   4    6    7  Car  Car  Car    120.001
   4    6   11  Car  Car   HC    120.002
   7    6   11  Car  Car   HC    119.998
   2    7    6  Nar  Car  Car    120.001
   2    7   10  Nar  Car   C3    119.998
   6    7   10  Car  Car   C3    120.001
   4    8   12  Car   C3   HC     89.999
   4    8   13  Car   C3   HC    179.974
   4    8   14  Car   C3   HC     90.001
  12    8   13   HC   C3   HC     90.000
  12    8   14   HC   C3   HC    179.974
  13    8   14   HC   C3   HC     90.000
   1    9    2   Br  Car  Nar    120.001
   1    9    5   Br  Car  Car    120.001
   2    9    5  Nar  Car  Car    119.998
   7   10   15  Car   C3   HC     90.000
   7   10   16  Car   C3   HC    179.974
   7   10   17  Car   C3   HC     90.000
  15   10   16   HC   C3   HC     90.000
  15   10   17   HC   C3   HC    179.974
  16   10   17   HC   C3   HC     90.000


TORSION ANGLES
   9    2    7    6      0.026
   9    2    7   10    179.974
   7    2    9    1    179.974
   7    2    9    5      0.026
  18    3    5    4    179.974
  18    3    5    9      0.026
  19    3    5    4      0.026
  19    3    5    9    179.974
   6    4    5    3    179.974
   6    4    5    9      0.026
   8    4    5    3      0.026
   8    4    5    9    179.974
   5    4    6    7      0.026
   5    4    6   11    179.974
   8    4    6    7    179.974
   8    4    6   11      0.026
   5    4    8   12      0.026
   5    4    8   13      0.026
   5    4    8   14    179.974
   6    4    8   12    179.974
   6    4    8   13    179.974
   6    4    8   14      0.026
   3    5    9    1      0.026
   3    5    9    2    179.974
   4    5    9    1    179.974
   4    5    9    2      0.026
   4    6    7    2      0.026
   4    6    7   10    179.974
  11    6    7    2    179.974
  11    6    7   10      0.026
   2    7   10   15    179.974
   2    7   10   16    180.000
   2    7   10   17      0.026
   6    7   10   15      0.026
   6    7   10   16    180.000
   6    7   10   17    179.974