3-Hydroxypyridine(109-00-2) IR1

Product Name3-Hydroxypyridine

CAS 109-00-2

Molecular FormulaC5H5NO

Molecular Weight95.1

InChIInChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H

InChIKey GRFNBEZIAWKNCO-UHFFFAOYSA-N

SmilesC1=NC=CC=C1O

Request For Quotation

Mass

MS-NW-8658          
3-pyridinol
C5H5NO              (Mass of molecular ion:     95)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      18.0       1.3
      26.0       1.5
      27.0       2.0
      28.0       7.3
      29.0       1.8
      37.0       4.2
      38.0       8.2
      39.0      25.3
      40.0      15.1
      41.0      13.2
      42.0       5.8
      49.0       1.0
      50.0       2.8
      51.0       3.0
      52.0       1.6
      53.0       1.6
      55.0       5.3
      66.0       5.8
      67.0      12.7
      68.0      12.9
      69.0       1.2
      94.0       3.7
      95.0     100.0
      96.0       6.1

400 MHz in CDCl3

parameter in DMSO-d6

¹H NMR	399.65 MHz
C₅ H₅ N O	saturated in CDCl₃
3-pyridinol

    Assign.     Shift(ppm)

      A             8.284
      B             8.093
      C             7.327
      D             7.29
     
     THE OH-PEAK IS NOT OBSERVED.

     Hz     ppm     Int.

   3315.31   8.296    102
   3312.13   8.288    905
   3310.18   8.283    964
   3309.81   8.282   1000
   3306.64   8.274    189
   3305.91   8.273    143
   3304.32   8.269    108
   3303.96   8.268     85
   3239.99   8.108    119
   3236.21   8.098    743
   3233.03   8.090    775
   3231.93   8.087    779
   3229.61   8.082    202
   3228.76   8.079    161
   3228.27   8.078    141
   3227.54   8.076    103
   3226.93   8.075     96
   3226.56   8.074     94
   3226.20   8.073     91
   2937.62   7.351     87
   2936.28   7.348    273
   2934.81   7.344    351
   2933.84   7.342    311
   2933.47   7.341    309
   2932.01   7.337    324
   2930.54   7.333    138
   2927.86   7.327    679
   2926.51   7.323    766
   2925.29   7.320    838
   2923.71   7.316    724
   2921.75   7.311    199
   2920.53   7.308    161
   2919.68   7.306    160
   2917.24   7.300    913
   2914.92   7.294    231
   2912.60   7.288    892
   2909.06   7.280    432
   2906.98   7.274    165
   2906.62   7.273    162
   2900.63   7.258    146
   2899.90   7.257    140
   2899.41   7.255    110
   2899.05   7.254     93

¹H NMR	300 MHz
C₅ H₅ N O	1 M in DMSO-d₆
3-pyridinol

    Parameter     ppm  Hz

      D(A)         8.363
      D(B)         7.315
      D(C)         7.258
      D(D)         8.146
       J(A,B)          2.80
       J(A,C)          0.70
       J(A,D)         -0.15
       J(B,C)          8.35
       J(B,D)          1.45
       J(C,D)          4.65
     
      D(E)         9.905
     
     VOEGELI,U. & VON PHILIPSBORN,W. ORG.MAGN.RESON. 5, 551 (1973)

     Hz     ppm     Int.

   2971.50   9.905   1000
   2510.56   8.369    332
   2509.95   8.366    337
   2507.90   8.360    348
   2507.29   8.358    339
   2446.88   8.156    265
   2445.26   8.151    275
   2442.41   8.141    277
   2440.79   8.136    277
   2201.79   7.339     82
   2200.19   7.334    100
   2199.17   7.331     88
   2197.50   7.325     86
   2193.43   7.311    212
   2191.81   7.306    233
   2190.82   7.303    244
   2189.14   7.297    204
   2183.15   7.277    248
   2182.49   7.275    252
   2178.66   7.262    235
   2178.05   7.260    237
   2174.82   7.249    100
   2174.16   7.247     94
   2170.33   7.234    101
   2169.69   7.232     97

in CDCl3