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6-Methylpyridine-2-carbonitrile
6-Methylpyridine-2-carbonitrile ID: API-44387
CAS:1620-75-3
Supplier:APIchem

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SMILES:n1c(cccc1C#N)C	ChemMol.com
FORMULA: C7H6N2
MASS: 118.1359
EXACT MASS: 118.0530982
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    2.6458     0.0000 
   C   3    1.0000     3.6055     0.0000 
   C   4    1.7320     4.0000     1.0000     0.0000 
   C   5    1.7320     4.3589     1.0000     1.7320     0.0000 
   C   6    2.0000     3.6056     1.7320     1.0000     2.6457     0.0000 
   C   7    1.7321     2.6457     2.0000     1.7321     3.0000     1.0001 
   C   8    1.0001     2.0000     1.7321     2.0000     2.6458     1.7321 
   C   9    1.7321     1.0000     2.6458     3.0000     3.4641     2.6458 
   H  10    2.2900     4.6200     1.4158     0.6200     1.8397     1.4157 
   H  11    1.5200     4.0203     1.1766     2.1114     0.6200     2.9083 
   H  12    2.2901     4.8708     1.6200     2.2901     0.6201     3.2380 
   H  13    2.1114     4.7545     1.1766     1.5200     0.6200     2.5121 
   H  14    2.6200     4.0601     2.2901     1.4158     3.1407     0.6200 
   H  15    2.2901     2.6008     2.6200     2.2901     3.6200     1.4158 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    1.7320     1.0000     0.0000 
   H  10    2.2901     2.6200     3.6200     0.0000 
   H  11    3.0634     2.5121     3.1995     2.3470     0.0000 
   H  12    3.6201     3.2380     4.0131     2.2901     0.8769     0.0000 
   H  13    3.0634     2.9083     3.8121     1.4245     1.2399     0.8768 
   H  14    1.4158     2.2901     3.1408     1.6199     3.4624     3.7058 
   H  15    0.6200     1.4158     1.8397     2.8059     3.6727     4.2400 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    2.9170     0.0000 
   H  15    3.6727     1.6200     0.0000 



ATOMIC CHARGES
   N   1   -0.2415395650
   N   2   -0.1892787989
   C   3    0.0396942577
   C   4   -0.0405792846
   C   5   -0.0223139759
   C   6   -0.0573886435
   C   7   -0.0257655720
   C   8    0.1403157305
   C   9    0.1190932833
   H  10    0.0635348050
   H  11    0.0292492159
   H  12    0.0292492159
   H  13    0.0292492159
   H  14    0.0618965742
   H  15    0.0645835416


BOND ANGLES
   3    1    8  Car  Nar  Car    120.001
   1    3    4  Nar  Car  Car    120.001
   1    3    5  Nar  Car   C3    119.999
   4    3    5  Car  Car   C3    120.001
   3    4    6  Car  Car  Car    120.001
   3    4   10  Car  Car   HC    120.002
   6    4   10  Car  Car   HC    119.998
   3    5   11  Car   C3   HC     89.999
   3    5   12  Car   C3   HC    179.974
   3    5   13  Car   C3   HC     90.001
  11    5   12   HC   C3   HC     90.005
  11    5   13   HC   C3   HC    179.974
  12    5   13   HC   C3   HC     89.995
   4    6    7  Car  Car  Car    120.001
   4    6   14  Car  Car   HC    120.001
   7    6   14  Car  Car   HC    119.998
   6    7    8  Car  Car  Car    119.998
   6    7   15  Car  Car   HC    120.000
   8    7   15  Car  Car   HC    120.002
   1    8    7  Nar  Car  Car    119.998
   1    8    9  Nar  Car   C1    120.001
   7    8    9  Car  Car   C1    120.001
   2    9    8   N1   C1  Car    179.974


TORSION ANGLES
   8    1    3    4      0.026
   8    1    3    5    179.974
   3    1    8    7      0.026
   3    1    8    9    179.974
   1    3    4    6      0.026
   1    3    4   10    179.974
   5    3    4    6    179.974
   5    3    4   10      0.026
   1    3    5   11      0.026
   1    3    5   12    179.974
   1    3    5   13    179.974
   4    3    5   11    179.974
   4    3    5   12      0.026
   4    3    5   13      0.026
   3    4    6    7      0.026
   3    4    6   14    179.974
  10    4    6    7    179.974
  10    4    6   14      0.026
   4    6    7    8      0.026
   4    6    7   15    179.974
  14    6    7    8    179.974
  14    6    7   15      0.026
   6    7    8    1      0.026
   6    7    8    9    179.974
  15    7    8    1    179.974
  15    7    8    9      0.026
   1    8    9    2    180.000
   7    8    9    2    180.000