3-Hydroxy-2-nitropyridine(15128-82-2) 13C NMR
Product Name3-Hydroxy-2-nitropyridine
CAS15128-82-2
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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MassMS-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
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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
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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
KBr disc
nujol mull
