Physicochemical Properties
| Molecular Formula | C6H5NO3 |
| Molecular Weight | 139.11 |
| Exact Mass | 139.026 |
| CAS # | 5006-66-6 |
| PubChem CID | 72924 |
| Appearance | White to off-white solid powder |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 488.8±30.0 °C at 760 mmHg |
| Melting Point | >300 °C(lit.) |
| Flash Point | 249.4±24.6 °C |
| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
| Index of Refraction | 1.626 |
| LogP | -0.96 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 10 |
| Complexity | 239 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | BLHCMGRVFXRYRN-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10) |
| Chemical Name | 6-oxo-1H-pyridine-3-carboxylic acid |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| Targets | Microbial Metabolite Human Endogenous Metabolite |
| Additional Infomation |
6-hydroxynicotinic acid is a monohydroxypyridine that is the 6-hydroxy derivative of nicotinic acid. It has a role as a mouse metabolite, a human urinary metabolite and an Arabidopsis thaliana metabolite. It is functionally related to a nicotinic acid. It is a conjugate acid of a 6-hydroxynicotinate(1-). 6-Hydroxynicotinic acid has been reported in Arabidopsis thaliana and Caenorhabditis elegans with data available. |
Solubility Data
| Solubility (In Vitro) |
DMSO: 33.33 mg/mL (239.59 mM) H2O: 2 mg/mL (14.38 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.43 mg/mL (10.28 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 14.3 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 1.43 mg/mL (10.28 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 14.3 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 1.43 mg/mL (10.28 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 14.3 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 4: 1 mg/mL (7.19 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication (<60°C).  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.1886 mL | 35.9428 mL | 71.8856 mL | |
| 5 mM | 1.4377 mL | 7.1886 mL | 14.3771 mL | |
| 10 mM | 0.7189 mL | 3.5943 mL | 7.1886 mL |