15128-82-2

3-Hydroxy-2-nitropyridine(15128-82-2) IR2

Product Name3-Hydroxy-2-nitropyridine

CAS 15128-82-2

Molecular FormulaC5H4N2O3

Molecular Weight140.1

InChIInChI=1S/C5H4N2O3/c8-4-2-1-3-6-5(4)7(9)10/h1-3,8H

InChIKey QBPDSKPWYWIHGA-UHFFFAOYSA-N

SmilesC1([N+]([O-])=O)=NC=CC=C1O

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3-Hydroxy-2-nitropyridine(15128-82-2) IR2
Mass

MS-NW-6547          
2-nitro-3-pyridinol
C5H4N2O3            (Mass of molecular ion:    140)

   Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       2.4
      26.0       3.9
      27.0       2.9
      28.0       5.7
      29.0       2.2
      30.0       6.0
      37.0       5.5
      38.0      22.7
      39.0      50.7
      40.0       4.8
      43.0       1.3
      44.0       2.2
      50.0       1.2
      51.0       2.0
      52.0       2.5
      53.0       3.1
      54.0       6.5
      55.0       1.7
      63.0       1.5
      64.0      10.2
      65.0      28.2
      66.0      24.8
      67.0      13.6
      68.0       1.0
      76.0       2.2
      82.0      10.5
      93.0      18.4
      94.0     100.0
      95.0       6.2
     110.0       1.1
     140.0      39.5
     141.0       2.7

400 MHz in CDCl3

90 MHz in DMSO-d6

3-Hydroxy-2-nitropyridine(15128-82-2) IR2

¹H NMR	399.65 MHz
C₅ H₄ N₂ O₃	0.044 g : 0.5 ml CDCl₃
2-nitro-3-pyridinol

    Assign.     Shift(ppm)

      A            10.22
      B             8.230
      C             7.683
      D             7.675
     
     J(B,D)=3.5HZ
     J(B,C)=2.1HZ
     J(C,D)=8.4HZ

     Hz     ppm     Int.

   4084.32  10.220    147
   3291.93   8.238    366
   3289.79   8.232    406
   3288.42   8.229    393
   3286.29   8.223    369
   3280.18   8.208     21
   3279.88   8.207     21
   3092.80   7.739     21
   3082.43   7.713     22
   3081.36   7.711     26
   3079.53   7.706     66
   3077.39   7.701    117
   3071.14   7.685    905
   3070.07   7.682   1000
   3069.00   7.680    898
   3066.41   7.673    731
   3061.68   7.661     75
   3059.69   7.656     43
   3058.01   7.652    122

3-Hydroxy-2-nitropyridine(15128-82-2) IR2

¹H NMR	89.56 MHz
C₅ H₄ N₂ O₃	0.031 g : 0.5 ml DMSO-d₆
2-nitro-3-pyridinol

    Assign.     Shift(ppm)

      A            11.
      B             8.016
      C             7.66
      D             7.63
     
     C AND D WERE CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

    721.19   8.053    196
    718.46   8.023    326
    715.38   7.988    269
    691.63   7.723     27
    686.07   7.661   1000
    683.34   7.630    548
    682.91   7.626    549
    678.47   7.576     31
    677.70   7.567     27
    674.54   7.532     26

in CDCl3

in D2O