PYRIDINE-2-CARBOXAMIDE(1452-77-3) Raman
Product NamePYRIDINE-2-CARBOXAMIDE
CAS1452-77-3
Molecular FormulaC6H6N2O
Molecular Weight122.12
InChIInChI=1S/C6H6N2O/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9)
InChIKey IBBMAWULFFBRKK-UHFFFAOYSA-N
SmilesC1(C(N)=O)=NC=CC=C1
-
MassMS-NW-1411 2-pyridinecarboxamide C6H6N2O (Mass of molecular ion: 122)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
16.0 1.2 26.0 4.0 27.0 5.8 28.0 4.0 37.0 1.5 38.0 2.3 39.0 4.5 44.0 9.3 49.0 2.0 50.0 9.8 51.0 23.0 52.0 35.8 53.0 4.3 67.0 1.0 75.0 1.4 76.0 2.2 77.0 1.9 78.0 27.7 79.0 100.0 80.0 5.7 104.0 1.3 122.0 30.1 123.0 2.4
90 MHz in CDCl3
parameter in DMSO-d6
-
1H NMR 89.56 MHz C6 H6 N2 O 0.043 g : 0.5 ml CDCl3 2-pyridinecarboxamide 
Assign. Shift(ppm)
A 8.579 B 8.214 C *1 7.9 D 7.859 E 7.450 F *1 6.7
Hz ppm Int.772.13 8.622 441 771.19 8.611 526 770.38 8.602 525 769.44 8.592 522 767.38 8.569 508 766.44 8.558 565 765.63 8.549 544 764.69 8.539 532 741.56 8.281 424 740.56 8.269 533 740.19 8.265 544 739.25 8.255 453 733.75 8.193 695 732.75 8.182 867 732.44 8.179 844 731.44 8.168 677 712.06 7.951 660 710.31 7.932 651 704.50 7.867 1000 702.75 7.847 949 696.69 7.780 589 694.94 7.760 553 673.25 7.518 761 671.81 7.502 792 668.50 7.465 690 667.13 7.449 731 665.69 7.433 561 664.31 7.418 506 660.94 7.380 494 659.56 7.365 476
-
1H NMR 300 MHz C6 H6 N2 O 30 % in DMSO 2-pyridinecarboxamide Parameter ppm Hz
D(A) 8.89 D(B) 7.81 D(C) 8.22 D(D) 8.43 J(A,B) 4.5 J(A,C) 2.1 J(A,D) 0.8 J(B,C) 7.4 J(B,D) 1.2 J(C,D) 8.1 D(E) 8.5 D(F) 8.1 J(E,F) 0.0 BRUEGEL,W. Z.ELEKTROCHEM.BER.BUNSENGES.PHYS.CHEM. 66, 159 (1962) H(E) AND H(F) ARE BROAD.
Hz ppm Int.2670.64 8.902 173 2669.96 8.900 185 2668.57 8.895 193 2667.89 8.893 192 2666.16 8.887 192 2665.48 8.885 196 2664.10 8.880 192 2663.42 8.878 182 2550.00 8.500 1000 2533.30 8.444 231 2525.21 8.417 297 2474.64 8.249 144 2472.55 8.242 143 2467.19 8.224 199 2465.12 8.217 202 2459.16 8.197 128 2457.07 8.190 124 2430.00 8.100 1000 2349.40 7.831 159 2348.23 7.827 159 2344.91 7.816 161 2343.72 7.812 166 2342.04 7.807 155 2340.85 7.803 146 2337.53 7.792 139 2336.36 7.788 136
in CDCl3
KBr disc
nujol mull
