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2-Methyl-pyridin-4-ol
2-Methyl-pyridin-4-ol ID: API-9343
CAS:18615-86-6
Supplier:APIchem

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SMILES:O=c1cc([nH]cc1)C	ChemMol.com
FORMULA: C6H7NO
MASS: 109.1259
EXACT MASS: 109.0527638
INTERATOMIC DISTANCES

              O   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   N   2    3.0000     0.0000 
   C   3    2.6457     1.0000     0.0000 
   C   4    1.7320     1.7320     1.0000     0.0000 
   C   5    3.4641     1.7320     1.0000     1.7320     0.0000 
   C   6    1.0000     2.0000     1.7320     1.0000     2.6457     0.0000 
   C   7    2.6458     1.0001     1.7321     2.0000     2.6458     1.7321 
   C   8    1.7321     1.7321     2.0000     1.7321     3.0000     1.0001 
   H   9    1.8396     2.2900     1.4158     0.6200     1.8397     1.4157 
   H  10    3.6200     0.6200     1.4158     2.2901     1.8396     2.6200 
   H  11    3.1995     2.1114     1.1766     1.5200     0.6200     2.5121 
   H  12    4.0130     2.2900     1.6199     2.2900     0.6200     3.2379 
   H  13    3.8121     1.5200     1.1766     2.1114     0.6200     2.9083 
   H  14    3.1408     1.4158     2.2901     2.6200     3.1408     2.2901 
   H  15    1.8397     2.2901     2.6200     2.2901     3.6200     1.4158 

              C   7      C   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   H   9    2.6200     2.2901     0.0000 
   H  10    1.4158     2.2901     2.8059     0.0000 
   H  11    2.9083     3.0634     1.4245     2.3470     0.0000 
   H  12    3.2380     3.6200     2.2901     2.2900     0.8768     0.0000 
   H  13    2.5121     3.0634     2.3470     1.4244     1.2399     0.8768 
   H  14    0.6200     1.4158     3.2400     1.6200     3.4624     3.7058 
   H  15    1.4158     0.6200     2.8059     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
   O   1   -0.2877988716
   N   2   -0.3643534455
   C   3    0.0164193837
   C   4    0.0039943240
   C   5   -0.0243480041
   C   6    0.1819646766
   C   7    0.0054297554
   C   8    0.0010406411
   H   9    0.0672900211
   H  10    0.1650152814
   H  11    0.0291810099
   H  12    0.0291810099
   H  13    0.0291810099
   H  14    0.0807862715
   H  15    0.0670169368


BOND ANGLES
   3    2    7  Car  Nar  Car    120.001
   3    2   10  Car  Nar   HC    120.001
   7    2   10  Car  Nar   HC    119.998
   2    3    4  Nar  Car  Car    120.001
   2    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    9  Car  Car   HC    120.002
   6    4    9  Car  Car   HC    119.998
   3    5   11  Car   C3   HC     90.001
   3    5   12  Car   C3   HC    179.974
   3    5   13  Car   C3   HC     89.999
  11    5   12   HC   C3   HC     90.000
  11    5   13   HC   C3   HC    179.974
  12    5   13   HC   C3   HC     90.000
   1    6    4   O2  Car  Car    120.001
   1    6    8   O2  Car  Car    119.998
   4    6    8  Car  Car  Car    120.001
   2    7    8  Nar  Car  Car    119.998
   2    7   14  Nar  Car   HC    120.000
   8    7   14  Car  Car   HC    120.002
   6    8    7  Car  Car  Car    119.998
   6    8   15  Car  Car   HC    120.000
   7    8   15  Car  Car   HC    120.002


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