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6-Aminopyridine-2-carboxylic acid
6-Aminopyridine-2-carboxylic acid ID: API-9454
CAS:23628-31-1
Supplier:APIchem

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SMILES:OC(=O)c1nc(N)ccc1	ChemMol.com
FORMULA: C6H6N2O2
MASS: 138.1240
EXACT MASS: 138.0429274
INTERATOMIC DISTANCES

              O   1      O   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    1.7321     0.0000 
   N   3    2.6458     2.0000     0.0000 
   N   4    4.3590     3.6055     1.7321     0.0000 
   C   5    1.7321     1.7320     1.0000     2.6458     0.0000 
   C   6    3.4641     2.9999     1.0000     1.0001     1.7320     0.0000 
   C   7    2.0000     2.6457     1.7320     3.0000     1.0000     2.0000 
   C   8    3.6055     3.6055     1.7320     1.7321     2.0000     1.0000 
   C   9    3.0000     3.4641     2.0000     2.6458     1.7320     1.7320 
   C  10    1.0001     1.0000     1.7320     3.4641     1.0000     2.6457 
   H  11    1.7732     2.8292     2.2901     3.6201     1.4158     2.6200 
   H  12    4.2101     4.2100     2.2901     1.8397     2.6200     1.4158 
   H  13    3.3533     4.0130     2.6200     3.1408     2.2901     2.2901 
   H  14    4.8708     4.2100     2.2901     0.6200     3.1408     1.4158 
   H  15    4.4727     3.4849     1.8397     0.6200     2.8292     1.4158 
   H  16    0.6200     1.8397     3.1408     4.8708     2.2901     4.0130 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    1.0000     1.0000     0.0000 
   C  10    1.7320     2.9999     2.6457     0.0000 
   H  11    0.6201     2.2901     1.4158     1.8397     0.0000 
   H  12    2.2901     0.6201     1.4158     3.6200     2.8060     0.0000 
   H  13    1.4158     1.4158     0.6200     3.1407     1.6200     1.6200 
   H  14    3.3533     1.8397     2.8292     4.0130     3.9666     1.7320 
   H  15    3.3533     2.2901     3.1408     3.5191     3.9666     2.4522 
   H  16    2.6200     4.2100     3.6200     1.4158     2.3715     4.8185 

              H  13      H  14      H  15      H  16
              --------------------------------------------
   H  13    0.0000 
   H  14    3.2380     0.0000 
   H  15    3.6739     1.0739     0.0000 
   H  16    3.9665     5.4053     4.9340     0.0000 



ATOMIC CHARGES
   O   1   -0.4760707846
   O   2   -0.2434025646
   N   3   -0.2258857632
   N   4   -0.3431164291
   C   5    0.1494718247
   C   6    0.1170407025
   C   7   -0.0291379644
   C   8   -0.0220488818
   C   9   -0.0562943113
   C  10    0.3553748932
   H  11    0.0640995750
   H  12    0.0651688977
   H  13    0.0619301747
   H  14    0.1437068914
   H  15    0.1437068914
   H  16    0.2954568486


BOND ANGLES
  10    1   16   C2   O3   HO    120.000
   5    3    6  Car  Nar  Car    119.999
   6    4   14  Car  Npl   HC    120.000
   6    4   15  Car  Npl   HC    119.998
  14    4   15   HC  Npl   HC    120.002
   3    5    7  Nar  Car  Car    120.001
   3    5   10  Nar  Car   C2    119.999
   7    5   10  Car  Car   C2    120.001
   3    6    4  Nar  Car  Npl    120.001
   3    6    8  Nar  Car  Car    120.001
   4    6    8  Npl  Car  Car    119.998
   5    7    9  Car  Car  Car    120.001
   5    7   11  Car  Car   HC    119.997
   9    7   11  Car  Car   HC    120.002
   6    8    9  Car  Car  Car    120.001
   6    8   12  Car  Car   HC    119.997
   9    8   12  Car  Car   HC    120.002
   7    9    8  Car  Car  Car    119.999
   7    9   13  Car  Car   HC    120.001
   8    9   13  Car  Car   HC    120.001
   1   10    2   O3   C2   O2    119.998
   1   10    5   O3   C2  Car    120.001
   2   10    5   O2   C2  Car    120.001


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