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2,5-Pyridinedicarboxylic acid

2,5-Pyridinedicarboxylic acid

Name: 2,5-Pyridinedicarboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Molecular Formula:

C7H5NO4

Molecular Weight:

167.12

CAS Number:

100-26-5

Catalog Number:

100-26-5

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

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

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.

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

167.02185764 g/mol

Monoisotopic Mass

167.02185764 g/mol

Topological Polar Surface Area

87.5Å²

Heavy Atom Count

Formal Charge

Complexity

204

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

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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
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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)