Sign In Join Free

Products Information

5-fluoro-2-nitro-pyridine
5-fluoro-2-nitro-pyridine ID: AN-27372
CAS:779345-37-8
Supplier:AN PharmaTech Co Ltd

Get a quote


SMILES:Fc1ccc(nc1)[N+](=O)[O-]	16748109
FORMULA: C5H3FN2O2
MASS: 142.0879
EXACT MASS: 142.0178556
INTERATOMIC DISTANCES

              F   1      O   2      O   3      N   4      N   5      C   6
              ------------------------------------------------------------------
   F   1    0.0000 
   O   2    4.5826     0.0000 
   O   3    4.5826     1.7320     0.0000 
   N   4    2.6457     2.6458     2.0000     0.0000 
   N   5    4.0000     1.0000     1.0000     1.7321     0.0000 
   C   6    3.0000     1.7320     1.7320     1.0001     1.0000     0.0000 
   C   7    2.6458     2.0000     2.6457     1.7321     1.7320     1.0000 
   C   8    1.7320     3.0000     3.4641     2.0000     2.6458     1.7321 
   C   9    1.0000     3.6055     3.6056     1.7320     3.0000     2.0000 
   C  10    1.7320     3.4641     3.0000     1.0000     2.6458     1.7321 
   H  11    3.1408     1.7732     2.8292     2.2901     1.8397     1.4158 
   H  12    1.8396     3.3533     4.0131     2.6200     3.1408     2.2901 
   H  13    1.8397     4.0130     3.3533     1.4157     3.1408     2.2901 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0001     0.0000 
   C   9    1.7321     1.0000     0.0000 
   C  10    2.0000     1.7320     1.0000     0.0000 
   H  11    0.6200     1.4158     2.2901     2.6200     0.0000 
   H  12    1.4158     0.6200     1.4158     2.2901     1.6200     0.0000 
   H  13    2.6200     2.2900     1.4158     0.6200     3.2400     2.8059 

              H  13
              -----------
   H  13    0.0000 



ATOMIC CHARGES
   F   1   -0.2038953623
   O   2   -0.5746839849
   O   3    0.0431329899
   N   4   -0.1874671402
   N   5    0.1005230151
   C   6    0.3674705446
   C   7    0.0391547403
   C   8   -0.0168629266
   C   9    0.1418329927
   C  10    0.0694076936
   H  11    0.0703709280
   H  12    0.0649253843
   H  13    0.0860911254


BOND ANGLES
   6    4   10  Car  Nar  Car    120.001
   2    5    3   O-  Ntr   O2    120.001
   2    5    6   O-  Ntr  Car    119.999
   3    5    6   O2  Ntr  Car    120.001
   4    6    5  Nar  Car  Ntr    120.001
   4    6    7  Nar  Car  Car    119.998
   5    6    7  Ntr  Car  Car    120.001
   6    7    8  Car  Car  Car    119.998
   6    7   11  Car  Car   HC    120.002
   8    7   11  Car  Car   HC    120.000
   7    8    9  Car  Car  Car    120.001
   7    8   12  Car  Car   HC    119.998
   9    8   12  Car  Car   HC    120.001
   1    9    8    F  Car  Car    119.999
   1    9   10    F  Car  Car    120.001
   8    9   10  Car  Car  Car    120.001
   4   10    9  Nar  Car  Car    120.001
   4   10   13  Nar  Car   HC    119.998
   9   10   13  Car  Car   HC    120.002


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