2,5-Pyridinedicarboxylic acid
Product Information
Molecular Formula
C7H5NO4
Molecular Weight
167.12
Description
2,5-Pyridinedicarboxylic acid (CAS# 100-26-5) is used in the preparation of new 2,5-pyridinedicarboxylic acids derivatives as antiviral agents.
Synonyms
pyridine-2,5-dicarboxylic acid
IUPAC Name
pyridine-2,5-dicarboxylic acid
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
Application
Used to make nicotinic acid.
Storage
Store under inert gas
Refractive Index
1.62
LogP
0.47800
Vapor Pressure
0.0000061 [mmHg]
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye 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
Computed Properties
XLogP3
0.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
167.02185764 g/mol
Monoisotopic Mass
167.02185764 g/mol
Topological Polar Surface Area
87.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
204
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113861688-A | Low-dielectric polyphenylene sulfide composite material and preparation method thereof | 2021-10-28 |
| JP-2022009369-A | Deodorant for daily life odor | 2021-10-21 |
| CN-113621158-A | Preparation method of ion exchange membrane with mono/divalent anion separation cross-linking type amphoteric structure | 2021-09-02 |
| CN-113540471-A | Three-dimensional porous current collector material and preparation method and application thereof | 2021-07-13 |
| CN-113332958-A | Forming method of nitrogen-containing aluminum-based metal-organic framework material and air water absorption application thereof | 2021-07-01 |
| CN-113332959-A | Novel aluminum-based water-absorbing MOFs material with high stability, preparation method thereof and air water collection application | 2021-07-01 |
| CN-113234013-A | Compound for inhibiting collagen synthesis and deposition and application thereof | 2021-05-21 |
| CN-113402720-A | Pyridine oxide COF material and preparation method and application thereof | 2021-05-17 |
| CN-113185738-A | Amino-containing polyaryletherketone sulfone/cationic metal-organic framework anion exchange membrane and preparation method thereof | 2021-04-25 |
| CN-113117745-A | Preparation method and application of metal-free catalyst | 2021-04-13 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 23078525 | 2012-11-05 | Synthesis, crystal structures, and luminescence properties of carboxylate based rare-earth coordination polymers | Inorganic chemistry |
| 22858225 | 2012-09-01 | The synthesis, spectroscopic, X-ray characterization and in vitro cytotoxic testing results of activity of five new trans-platinum(IV) complexes with functionalized pyridines | European journal of medicinal chemistry |
| 22584602 | 2012-06-28 | Porous magnesium carboxylate framework: synthesis, X-ray crystal structure, gas adsorption property and heterogeneous catalytic aldol condensation reaction | Dalton transactions (Cambridge, England : 2003) |
| 22464683 | 2012-05-01 | Molecular docking and enzymatic evaluation to identify selective inhibitors of aspartate semialdehyde dehydrogenase | Bioorganic & medicinal chemistry |
| 22590066 | 2012-05-01 | Poly[[tri-μ(3)-hydroxido-tris-(μ(4)-pyridine-2,5-dicarboxyl-ato)trineodymium(III)] monohydrate] | Acta crystallographica. Section E, Structure reports online |
| 22589774 | 2012-04-01 | Poly[(μ(2)-2-amino-pyrimidine-κ(2)N(1):N(3))di-μ(2)-chlorido-mercury(II)] | Acta crystallographica. Section E, Structure reports online |
| 22589793 | 2012-04-01 | (2,2'-Bipyridine-6,6'-dicarboxyl-ato-κ(3)N,N',O(6))(6'-carb-oxy-2,2'-bipyridine-6-carboxyl-ato-κ(3)N,N',O(6))cobalt(III) | Acta crystallographica. Section E, Structure reports online |
| 22259342 | 2012-01-01 | Penta-aqua-(5-carb-oxy-pyridine-2-carboxyl-ato-κN,O)(pyridine-2,5-dicarboxyl-ato-κN,O)cerium(III) tetra-hydrate | Acta crystallographica. Section E, Structure reports online |
| 22091061 | 2011-08-01 | 4,4'-Bipyridine-pyridine-3,5-dicarb-oxy-lic acid (3/4) | Acta crystallographica. Section E, Structure reports online |
| 21625707 | 2011-07-14 | A new Kagomé lattice coordination polymer based on bismuth and pyridine-2,5-dicarboxylate: structure and photoluminescent properties | Chemical communications (Cambridge, England) |
