2,5-Pyridinedicarboxylic acid - CAS 100-26-5
Catalog: |
BB000148 |
Product Name: |
2,5-Pyridinedicarboxylic acid |
CAS: |
100-26-5 |
Synonyms: |
pyridine-2,5-dicarboxylic acid |
Application: |
Used to make nicotinic acid. |
IUPAC Name: | pyridine-2,5-dicarboxylic acid |
Description: | 2,5-Pyridinedicarboxylic acid (CAS# 100-26-5) is used in the preparation of new 2,5-pyridinedicarboxylic acids derivatives as antiviral agents. |
Molecular Weight: | 167.12 |
Molecular Formula: | C7H5NO4 |
Canonical SMILES: | C1=CC(=NC=C1C(=O)O)C(=O)O |
InChI: | InChI=1S/C7H5NO4/c9-6(10)4-1-2-5(7(11)12)8-3-4/h1-3H,(H,9,10)(H,11,12) |
InChI Key: | LVPMIMZXDYBCDF-UHFFFAOYSA-N |
Boiling Point: | 295.67 °C (rough estimate) |
Melting Point: | 254 °C |
Purity: | > 98.0 % (GC) (T) |
Density: | 1.551 g/cm3 |
Appearance: | Yellow to green fine crystalline powder |
Storage: | Store under inert gas |
MDL: | MFCD00006297 |
LogP: | 0.47800 |
Refractive Index: | 1.62 |
Vapor Pressure: | 0.0000061 [mmHg] |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
29131470 | 20180101 | Synthesis of some novel pyridine compounds containing bis-1,2,4-triazole/thiosemicarbazide moiety and investigation of their antioxidant properties, carbonic anhydrase, and acetylcholinesterase enzymes inhibition profiles | Journal of biochemical and molecular toxicology |
23078525 | 20121105 | Synthesis, crystal structures, and luminescence properties of carboxylate based rare-earth coordination polymers | Inorganic chemistry |
22858225 | 20120901 | The synthesis, spectroscopic, X-ray characterization and in\xa0vitro cytotoxic testing results of activity of five new trans-platinum(IV) complexes with functionalized pyridines | European journal of medicinal chemistry |
22584602 | 20120628 | Porous magnesium carboxylate framework: synthesis, X-ray crystal structure, gas adsorption property and heterogeneous catalytic aldol condensation reaction | Dalton transactions (Cambridge, England : 2003) |
22464683 | 20120501 | Molecular docking and enzymatic evaluation to identify selective inhibitors of aspartate semialdehyde dehydrogenase | Bioorganic & medicinal chemistry |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.02185764 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.02185764 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 87.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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