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2-Amino-3-bromo-6-picoline
2-Amino-3-bromo-6-picoline ID: API-9438
CAS:126325-46-0
Supplier:APIchem

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SMILES:Brc1c(nc(cc1)C)N	ChemMol.com
FORMULA: C6H7BrN2
MASS: 187.0372
EXACT MASS: 185.9792602
INTERATOMIC DISTANCES

             Br   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Br   1    0.0000 
   N   2    2.6458     0.0000 
   N   3    2.0000     1.7321     0.0000 
   C   4    3.0000     1.0000     2.6458     0.0000 
   C   5    2.6458     1.7320     3.0000     1.0000     0.0000 
   C   6    1.7321     1.0000     1.0001     1.7320     2.0000     0.0000 
   C   7    1.7321     2.0000     2.6458     1.7320     1.0000     1.7320 
   C   8    1.0001     1.7320     1.7321     2.0000     1.7320     1.0000 
   C   9    4.0000     1.7320     3.4641     1.0000     1.7320     2.6457 
   H  10    3.1409     2.2901     3.6201     1.4158     0.6201     2.6200 
   H  11    1.8397     2.6200     3.1408     2.2901     1.4158     2.2901 
   H  12    4.0477     1.5200     3.1995     1.1766     2.1114     2.5120 
   H  13    4.6201     2.2901     4.0131     1.6200     2.2901     3.2380 
   H  14    4.0478     2.1114     3.8121     1.1766     1.5200     2.9082 
   H  15    2.6200     1.8397     0.6200     2.8292     3.3533     1.4158 
   H  16    1.7732     2.2901     0.6200     3.1408     3.3533     1.4158 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    2.6457     2.9999     0.0000 
   H  10    1.4158     2.2901     1.8397     0.0000 
   H  11    0.6200     1.4158     3.1407     1.6200     0.0000 
   H  12    2.9083     3.0633     0.6200     2.3470     3.4624     0.0000 
   H  13    3.2380     3.6200     0.6201     2.2901     3.7058     0.8769 
   H  14    2.5121     3.0633     0.6200     1.4245     2.9170     1.2399 
   H  15    3.1408     2.2901     3.5191     3.9666     3.6739     3.1552 
   H  16    2.8292     1.8397     4.0130     3.9666     3.2380     3.7869 

              H  13      H  14      H  15      H  16
              --------------------------------------------
   H  13    0.0000 
   H  14    0.8768     0.0000 
   H  15    4.0131     3.9474     0.0000 
   H  16    4.5802     4.3170     1.0739     0.0000 



ATOMIC CHARGES
  Br   1   -0.0467583790
   N   2   -0.2364995080
   N   3   -0.3422551717
   C   4    0.0403995140
   C   5   -0.0394884067
   C   6    0.1304967403
   C   7   -0.0427668713
   C   8    0.0573506444
   C   9   -0.0222882405
   H  10    0.0635682858
   H  11    0.0630176215
   H  12    0.0292495463
   H  13    0.0292495463
   H  14    0.0292495463
   H  15    0.1437375662
   H  16    0.1437375662


BOND ANGLES
   4    2    6  Car  Nar  Car    119.999
   6    3   15  Car  Npl   HC    119.998
   6    3   16  Car  Npl   HC    120.000
  15    3   16   HC  Npl   HC    120.002
   2    4    5  Nar  Car  Car    120.001
   2    4    9  Nar  Car   C3    119.999
   5    4    9  Car  Car   C3    120.001
   4    5    7  Car  Car  Car    120.001
   4    5   10  Car  Car   HC    119.997
   7    5   10  Car  Car   HC    120.002
   2    6    3  Nar  Car  Npl    120.001
   2    6    8  Nar  Car  Car    120.001
   3    6    8  Npl  Car  Car    119.998
   5    7    8  Car  Car  Car    119.999
   5    7   11  Car  Car   HC    120.001
   8    7   11  Car  Car   HC    120.001
   1    8    6   Br  Car  Car    119.998
   1    8    7   Br  Car  Car    120.001
   6    8    7  Car  Car  Car    120.001
   4    9   12  Car   C3   HC     89.999
   4    9   13  Car   C3   HC    179.974
   4    9   14  Car   C3   HC     90.001
  12    9   13   HC   C3   HC     90.005
  12    9   14   HC   C3   HC    179.974
  13    9   14   HC   C3   HC     89.995


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