2-Aminonicotinic acid(5345-47-1) IR2

Product Name2-Aminonicotinic acid

CAS 5345-47-1

Molecular FormulaC6H6N2O2

Molecular Weight138.12

InChIInChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)

InChIKey KPIVDNYJNOPGBE-UHFFFAOYSA-N

SmilesC1(N)=NC=CC=C1C(O)=O

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Mass

MS-NW-6196          
2-aminonicotinic acid
C6H6N2O2            (Mass of molecular ion:    138)

   Source Temperature: 160 °C
   Sample Temperature:  80 °C
   Direct, 75 eV

      18.0       3.4
      26.0       1.1
      27.0       1.6
      28.0       7.7
      29.0       1.0
      37.0       5.4
      38.0       9.5
      39.0      20.1
      40.0       4.9
      41.0       6.6
      42.0       1.7
      43.0       2.3
      44.0       1.5
      45.0       3.2
      49.0       1.3
      50.0       4.1
      51.0       3.8
      52.0       4.9
      53.0       3.2
      54.0       1.4
      55.0       1.7
      63.0       2.0
      64.0       5.6
      65.0      12.8
      66.0      15.6
      67.0      12.0
      68.0       1.9
      69.0       1.8
      77.0       1.5
      91.0       1.2
      92.0      28.9
      93.0      55.0
      94.0      38.4
      95.0       2.8
     103.0       1.1
     119.0       1.4
     120.0      21.8
     121.0       5.0
     138.0     100.0
     139.0       7.9

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₆ N₂ O₂	saturated in DMSO-d₆
2-aminonicotinic acid

    Assign.     Shift(ppm)

      A             8.162
      B             8.033
      C             6.598

     Hz     ppm     Int.

   3265.26   8.171    775
   3263.31   8.166    885
   3260.62   8.159    853
   3258.67   8.154    876
   3215.70   8.047    908
   3213.62   8.042    890
   3207.89   8.027   1000
   3205.93   8.022    916
   2643.31   6.615    881
   2638.55   6.603    912
   2635.50   6.595    912
   2630.86   6.583    883

KBr disc