2-Hydroxy-5-pyridinecarboxylic acid(5006-66-6) IR2

Product Name2-Hydroxy-5-pyridinecarboxylic acid

CAS 5006-66-6

Molecular FormulaC6H5NO3

Molecular Weight139.11

InChIInChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)

InChIKey BLHCMGRVFXRYRN-UHFFFAOYSA-N

SmilesC1NC(=O)C=CC=1C(O)=O

Request For Quotation

2-Hydroxy-5-pyridinecarboxylic acid(5006-66-6) IR2
Mass

MS-NW-6546          
6-hydroxynicotinic acid
C6H5NO3             (Mass of molecular ion:    139)

   Source Temperature: 190 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      17.0       3.1
      18.0      12.0
      25.0       1.1
      26.0       2.9
      27.0       3.6
      28.0      19.9
      29.0       3.6
      32.5       1.6
      36.0       1.8
      37.0      12.0
      38.0      22.3
      39.0      41.6
      40.0       9.0
      41.0       8.1
      42.0       3.5
      44.0       1.9
      45.0       6.2
      47.0       1.3
      49.0       2.2
      50.0       7.3
      51.0       5.4
      52.0       3.9
      53.0       4.6
      54.0       9.1
      55.0       6.4
      56.0       1.1
      63.0       1.9
      64.0       4.3
      65.0       6.8
      66.0      21.4
      67.0      36.6
      68.0       3.4
      69.0       2.1
      79.0       1.2
      82.0       2.3
      83.0       4.1
      84.0       2.4
      93.0      12.2
      94.0      57.8
      95.0      18.6
      96.0       1.2
     111.0      34.0
     112.0       2.1
     121.0       2.4
     122.0      12.6
     123.0       1.0
     139.0     100.0
     140.0       7.1

400 MHz in DMSO-d6

parameter in DMSO-d6

2-Hydroxy-5-pyridinecarboxylic acid(5006-66-6) IR2

¹H NMR	399.65 MHz
C₆ H₅ N O₃	0.041 g : 0.5 ml DMSO-d₆
6-hydroxynicotinic acid

    Assign.     Shift(ppm)

      A            12.4
      B             8.037
      C             7.822
      D             6.392

     Hz     ppm     Int.

   4966.56  12.428    101
   3213.47   8.041    925
   3210.91   8.035    973
   3132.51   7.839    630
   3129.77   7.832    574
   3122.81   7.814    653
   3120.24   7.808    619
   2559.94   6.406   1000
   2555.17   6.394     36
   2550.41   6.382    968

2-Hydroxy-5-pyridinecarboxylic acid(5006-66-6) IR2

¹H NMR	300 MHz
C₆ H₅ N O₃	30 % in DMSO
6-hydroxynicotinic acid

    Parameter     ppm  Hz

      D(A)         8.20
      D(B)         7.98
      D(C)         6.53
       J(A,B)          2.6
       J(A,C)          0.3
       J(B,C)          9.7
     
      D(D)        11.5
     
      D(E)        11.5
     
     BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.)
     66, 159 (1962)
     J(A,C):LESS THAN 0.3HZ. H(D) AND H(E) ARE BROAD PEAKS.

     Hz     ppm     Int.

   3449.99  11.500   1000
   2461.35   8.204    227
   2458.75   8.196    244
   2400.18   8.001    132
   2397.63   7.992    123
   2390.47   7.968    138
   2387.92   7.960    128
   1963.85   6.546    238
   1954.14   6.514    228

KBr disc