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methyl 2-aminopyridine-3-carboxylate
methyl 2-aminopyridine-3-carboxylate
ID: BP-11927
CAS:14667-47-1
Supplier:BroadPharm

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SMILES:c1(C(=O)OC)c(nccc1)N	
FORMULA: C7H8N2O2
MASS: 152.1506
EXACT MASS: 152.0585775
INTERATOMIC DISTANCES

              C   1      C   2      C   3      N   4      O   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6010     0.0000 
   C   3    0.6000     1.0398     0.0000 
   N   4    1.0378     1.5863     0.5975     0.0000 
   O   5    1.0398     0.6000     1.5878     2.0776     0.0000 
   N   6    1.0362     1.1958     0.5989     1.0375     1.7958     0.0000 
   O   7    1.0375     0.5975     1.1985     1.7960     1.0378     1.0341 
   C   8    0.5975     1.0375     1.0378     1.2000     1.1985     1.5831 
   C   9    1.1985     1.7995     1.0375     0.6010     2.1629     1.5861 
   C  10    1.5869     1.0375     1.7995     2.3970     1.1985     1.5831 
   C  11    1.0375     1.5869     1.1985     1.0398     1.7995     1.7974 

              O   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   O   7    0.0000 
   C   8    1.5829     0.0000 
   C   9    2.1600     1.0398     0.0000 
   C  10    0.6010     2.0750     2.7474     0.0000 
   C  11    2.0750     0.6010     0.6000     2.6131     0.0000 



ATOMIC CHARGES
   C   1    0.1103540232
   C   2    0.3441727590
   C   3    0.1759206007
   N   4   -0.2257508247
   O   5   -0.2447880758
   N   6   -0.1069843705
   O   7   -0.4412625097
   C   8    0.0109676691
   C   9    0.1004329509
   C  10    0.2559517855
   C  11    0.0209859922


BOND ANGLES
   2    1    3   C2  Car  Car    119.944
   2    1    8   C2  Car  Car    119.917
   3    1    8  Car  Car  Car    120.140
   1    2    5  Car   C2   O2    119.944
   1    2    7  Car   C2   O3    119.917
   5    2    7   O2   C2   O3    120.140
   1    3    4  Car  Car  Nar    120.140
   1    3    6  Car  Car  Npl    119.595
   4    3    6  Nar  Car  Npl    120.265
   3    4    9  Car  Nar  Car    119.917
   2    7   10   C2   O3   C3    119.917
   1    8   11  Car  Car  Car    119.917
   4    9   11  Nar  Car  Car    119.944
   8   11    9  Car  Car  Car    119.944


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