Sign In Join Free

Products Information

2-chloro-3-iodo-pyridine
2-chloro-3-iodo-pyridine ID: AN-15261
CAS:78607-36-0
Supplier:AN PharmaTech Co Ltd

Get a quote


SMILES:Ic1cccnc1Cl	2735743
FORMULA: C5H3ClIN
MASS: 239.4415
EXACT MASS: 238.8998748
INTERATOMIC DISTANCES

              I   1     Cl   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   I   1    0.0000 
  Cl   2    2.0000     0.0000 
   N   3    2.6457     1.7320     0.0000 
   C   4    1.0000     1.7320     1.7320     0.0000 
   C   5    1.7320     2.6457     2.0000     1.0000     0.0000 
   C   6    2.6458     3.0000     1.7321     1.7321     1.0001     0.0000 
   C   7    1.7320     1.0000     1.0000     1.0000     1.7320     2.0000 
   C   8    3.0000     2.6458     1.0001     2.0000     1.7321     1.0000 
   H   9    1.8396     3.1407     2.6200     1.4158     0.6200     1.4158 
   H  10    3.1408     3.6200     2.2901     2.2901     1.4158     0.6200 
   H  11    3.6200     3.1408     1.4158     2.6200     2.2901     1.4158 

              C   7      C   8      H   9      H  10      H  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    1.7321     0.0000 
   H   9    2.2901     2.2901     0.0000 
   H  10    2.6200     1.4158     1.6200     0.0000 
   H  11    2.2901     0.6200     2.8059     1.6200     0.0000 



ATOMIC CHARGES
   I   1   -0.0407015874
  Cl   2   -0.0609289152
   N   3   -0.2424897630
   C   4    0.0501528023
   C   5   -0.0442644218
   C   6   -0.0425169041
   C   7    0.1422300276
   C   8    0.0293078415
   H   9    0.0629257520
   H  10    0.0632969619
   H  11    0.0829882062


BOND ANGLES
   7    3    8  Car  Nar  Car    120.001
   1    4    5    I  Car  Car    119.999
   1    4    7    I  Car  Car    120.001
   5    4    7  Car  Car  Car    120.001
   4    5    6  Car  Car  Car    120.001
   4    5    9  Car  Car   HC    120.001
   6    5    9  Car  Car   HC    119.998
   5    6    8  Car  Car  Car    119.998
   5    6   10  Car  Car   HC    120.000
   8    6   10  Car  Car   HC    120.002
   2    7    3   Cl  Car  Nar    119.999
   2    7    4   Cl  Car  Car    120.001
   3    7    4  Nar  Car  Car    120.001
   3    8    6  Nar  Car  Car    119.998
   3    8   11  Nar  Car   HC    120.000
   6    8   11  Car  Car   HC    120.002


TORSION ANGLES
   8    3    7    2    179.974
   8    3    7    4      0.026
   7    3    8    6      0.026
   7    3    8   11    179.974
   1    4    5    6    179.974
   1    4    5    9      0.026
   7    4    5    6      0.026
   7    4    5    9    179.974
   1    4    7    2      0.026
   1    4    7    3    179.974
   5    4    7    2    179.974
   5    4    7    3      0.026
   4    5    6    8      0.026
   4    5    6   10    179.974
   9    5    6    8    179.974
   9    5    6   10      0.026
   5    6    8    3      0.026
   5    6    8   11    179.974
  10    6    8    3    179.974
  10    6    8   11      0.026