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2-Amino-3-pyridine carboxaldehyde
2-Amino-3-pyridine carboxaldehyde ID: API-9324
CAS:7521-41-7
Supplier:APIchem

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SMILES:O=Cc1c(nccc1)N	ChemMol.com
FORMULA: C6H6N2O
MASS: 122.1246
EXACT MASS: 122.0480128
INTERATOMIC DISTANCES

              O   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   N   2    3.4641     0.0000 
   N   3    3.0000     1.7320     0.0000 
   C   4    1.7320     1.7321     1.7321     0.0000 
   C   5    2.6458     1.0000     1.0000     1.0001     0.0000 
   C   6    2.0000     2.0000     2.6458     1.0000     1.7321     0.0000 
   C   7    3.0000     1.7320     3.0000     1.7321     2.0000     1.0001 
   C   8    3.6055     1.0000     2.6457     2.0000     1.7320     1.7321 
   C   9    1.0000     2.6458     2.0000     1.0000     1.7321     1.7320 
   H  10    1.7732     2.6200     3.1408     1.4158     2.2901     0.6200 
   H  11    3.3533     2.2901     3.6200     2.2901     2.6200     1.4158 
   H  12    4.2100     1.4158     3.1407     2.6200     2.2900     2.2901 
   H  13    1.4158     2.8292     1.7733     1.4158     1.8397     2.2901 
   H  14    3.6200     1.8397     0.6200     2.2901     1.4158     3.1408 
   H  15    2.7430     2.2901     0.6201     1.8397     1.4158     2.8292 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    2.6458     3.0000     0.0000 
   H  10    1.4158     2.2901     1.8397     0.0000 
   H  11    0.6200     1.4158     3.1408     1.6200     0.0000 
   H  12    1.4157     0.6200     3.6200     2.8059     1.6199     0.0000 
   H  13    3.1408     3.3533     0.6200     2.4522     3.6739     3.9665 
   H  14    3.3533     2.8292     2.6200     3.6739     3.9665     3.2380 
   H  15    3.3533     3.1408     1.7732     3.2380     3.9665     3.6739 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    2.3716     0.0000 
   H  15    1.3800     1.0739     0.0000 



ATOMIC CHARGES
   O   1   -0.2955844160
   N   2   -0.2400193343
   N   3   -0.3425902123
   C   4    0.0536484695
   C   5    0.1263911897
   C   6   -0.0468111797
   C   7   -0.0428117915
   C   8    0.0297151197
   C   9    0.1534766127
   H  10    0.0625941858
   H  11    0.0632856071
   H  12    0.0830045094
   H  13    0.1082522947
   H  14    0.1437244726
   H  15    0.1437244726


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


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