2,4-Pyridinedicarboxylic acid
Product Information
Molecular Formula
C7H5NO4
Molecular Weight
167.12
Description
Lutidinic acid is a pyridinedicarboxylic acid carrying carboxy groups at positions 2 and 4. It is a conjugate acid of a lutidinate(1-).
Synonyms
Lutidinic acid; 2,4-PDCA
IUPAC Name
pyridine-2,4-dicarboxylic acid
SMILES
C1=CN=C(C=C1C(=O)O)C(=O)O
InChI
InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChI Key
MJIVRKPEXXHNJT-UHFFFAOYSA-N
Boiling Point
295.67°C (rough estimate)
Melting Point
248 °C
Density
1.551 g/cm3
Appearance
white to almost white crystalline powder
Storage
Store under inert gas
Refractive Index
1.62
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
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 |
|---|---|---|
| WO-2021122386-A1 | Glycolic acid polymer | 2019-12-18 |
| WO-2021125319-A1 | Liquid crystal aligning agent, radical generation film and method for producing in-plane switching liquid crystal cell | 2019-12-18 |
| WO-2021125327-A1 | Method for manufacturing patterned liquid crystal display element | 2019-12-18 |
| WO-2021125329-A1 | Radical generation film-forming composition, radical generation film, and method for manufacturing horizontal-electric-field liquid crystal cell | 2019-12-18 |
| WO-2021116372-A1 | Inhibitors of kdm5a for use in treatment of idiopathic inflammatory myopathies | 2019-12-12 |
| WO-2021063835-A1 | Polyamide composition | 2019-09-30 |
| WO-2021057813-A1 | Sulfimide photo-acid generator, photosensitive resin composition, patterning method, use of photosensitive resin composition | 2019-09-25 |
| EP-3795611-A1 | Polyamides and corresponding polymer compositions and articles | 2019-09-23 |
| WO-2021050702-A1 | Kdm inhibitors and uses thereof | 2019-09-13 |
| WO-2021037850-A1 | Polyamides and corresponding polymer compositions, articles and methods for making and using | 2019-08-27 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 30737136 | 2019-06-15 | Inhibition of a viral prolyl hydroxylase | Bioorganic & medicinal chemistry |
| 22944601 | 2012-11-01 | Selective stabilization of HIF-1α in renal tubular cells by 2-oxoglutarate analogues | The American journal of pathology |
| 22875277 | 2012-10-01 | α-Ketoglutarate-related inhibitors of HIF prolyl hydroxylases are substrates of renal organic anion transporters 1 (OAT1) and 4 (OAT4) | Pflugers Archiv : European journal of physiology |
| 22917519 | 2012-09-15 | Inhibitor scaffold for the histone lysine demethylase KDM4C (JMJD2C) | Bioorganic & medicinal chemistry letters |
| 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 |
| 22420752 | 2012-06-01 | Studies of H3K4me3 demethylation by KDM5B/Jarid1B/PLU1 reveals strong substrate recognition in vitro and identifies 2,4-pyridine-dicarboxylic acid as an in vitro and in cell inhibitor | The FEBS journal |
| 22266461 | 2012-03-01 | Picolinate ruthenium(II)-arene complex with in vitro antiproliferative and antimetastatic properties: comparison to a series of ruthenium(II)-arene complexes with similar structure | Journal of inorganic biochemistry |
| 21859681 | 2012-01-01 | Enabling lead discovery for histone lysine demethylases by high-throughput RapidFire mass spectrometry | Journal of biomolecular screening |
| 22259328 | 2012-01-01 | Poly[[hexa-aqua-(μ(2)-oxalato-κO,O:O,O)bis(μ(3)-pyridine-2,4-dicarboxyl-ato-κN,O:O:O)dicerium(III)] monohydrate] | Acta crystallographica. Section E, Structure reports online |
| 22272276 | 2012-01-01 | Biapenem inactivation by B2 metallo β-lactamases: energy landscape of the post-hydrolysis reactions | PloS one |
