Sign In Join Free

Products Information

3-amino-6-chloropyridine-2-carboxamide
3-amino-6-chloropyridine-2-carboxamide
ID: BP-11823
CAS:175358-01-7
Supplier:BroadPharm

Get a quote


SMILES:c1(nc(ccc1N)Cl)C(=O)N	
FORMULA: C6H6ClN3O
MASS: 171.5843
EXACT MASS: 171.0199395
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.6010     0.0000 
   C   3    0.6011     1.0417     0.0000 
   C   4    0.6000     1.0398     1.0399     0.0000 
   C   5    1.0375     0.5975     1.5870     1.1985     0.0000 
   O   6    1.0375     1.5869     0.5974     1.1985     2.0750     0.0000 
   C   7    1.0398     1.2000     1.5891     0.6010     1.0378     1.7995 
   N   8    1.0399     1.2021     0.6000     1.5879     1.7996     1.0377 
   C   9    1.1985     1.0378     1.7996     1.0375     0.6000     2.1600 
   N  10    1.0399     1.5891     1.2000     0.6011     1.7996     1.0377 
  Cl  11    1.5869     1.0375     2.0792     1.7995     0.6010     2.6131 

              C   7      N   8      C   9      N  10     Cl  11
              -------------------------------------------------------
   C   7    0.0000 
   N   8    2.0797     0.0000 
   C   9    0.5975     2.1630     0.0000 
   N  10    1.0417     1.8000     1.5870     0.0000 
  Cl  11    1.5863     2.1640     1.0398     2.4006     0.0000 



ATOMIC CHARGES
   C   1    0.1552883133
   N   2   -0.2278835051
   C   3    0.3032630364
   C   4    0.1113220712
   C   5    0.1385619185
   O   6   -0.2649522666
   C   7    0.0221844348
   N   8   -0.0823192605
   C   9    0.0321912404
   N  10   -0.1263220926
  Cl  11   -0.0613338898


BOND ANGLES
   2    1    3  Nar  Car   C2    120.118
   2    1    4  Nar  Car  Car    119.944
   3    1    4   C2  Car  Car    119.939
   1    2    5  Car  Nar  Car    119.917
   1    3    6  Car   C2   O2    119.917
   1    3    8  Car   C2  Nam    119.939
   6    3    8   O2   C2  Nam    120.145
   1    4    7  Car  Car  Car    119.944
   1    4   10  Car  Car  Npl    119.939
   7    4   10  Car  Car  Npl    120.118
   2    5    9  Nar  Car  Car    120.140
   2    5   11  Nar  Car   Cl    119.917
   9    5   11  Car  Car   Cl    119.944
   4    7    9  Car  Car  Car    119.917
   5    9    7  Car  Car  Car    120.140


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