CAS 499-81-0 | Pyridine-3,5-dicarboxylic acid | CAS Number 499-81-0

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499-81-0 | Pyridine-3,5-dicarboxylic acid

CAS No: 499-81-0 Catalog No: AG0033JU MDL No:MFCD00006393

Product Description

Catalog Number:

AG0033JU

Chemical Name:

Pyridine-3,5-dicarboxylic acid

CAS Number:

499-81-0

Molecular Formula:

C7H5NO4

Molecular Weight:

167.1189

MDL Number:

MFCD00006393

IUPAC Name:

pyridine-3,5-dicarboxylic acid

InChI:

InChI=1S/C7H5NO4/c9-6(10)4-1-5(7(11)12)3-8-2-4/h1-3H,(H,9,10)(H,11,12)

InChI Key:

MPFLRYZEEAQMLQ-UHFFFAOYSA-N

SMILES:

OC(=O)c1cncc(c1)C(=O)O

EC Number:

207-893-8

NSC Number:

6497

Properties

Complexity:

184

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

167.022g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

167.12g/mol

Monoisotopic Mass:

167.022g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.1

Literature

Title	Journal
2D-1D structural phase transformation of Co(II) 3,5-pyridinedicarboxylate frameworks with chromotropism.	Dalton transactions (Cambridge, England : 2003) 20120921
Poly[diaqua-(μ(5)-pyridine-3,5-dicarboxyl-ato)strontium].	Acta crystallographica. Section E, Structure reports online 20120601
catena-Poly[[[aqua-(5-carb-oxy-pyridine-3-carboxyl-ato-κN)copper(I)]-μ-4,4'-bipyridine-κN:N'] monohydrate].	Acta crystallographica. Section E, Structure reports online 20120201
Photochemical hydrogen production from water using three-dimensional Zn-Pd metal-organic frameworks.	Journal of nanoscience and nanotechnology 20120101
Giant deuteron migration during the isosymmetric phase transition in deuterated 3,5-pyridinedicarboxylic acid.	Chemistry (Weinheim an der Bergstrasse, Germany) 20111223
Phonon-driven proton transfer in 3,5-pyridine dicarboxylic acid studied by 2H, 14N, and 17O nuclear quadrupole resonance.	The journal of physical chemistry. A 20111027
Poly[[[μ(2)-1,1'-(butane-1,4-di-yl)bis-(1H-imidazole)-κN:N](μ(2)-2,6-di-methyl-pyridine-3,5-dicarboxyl-ato-κO:O)zinc] dihydrate].	Acta crystallographica. Section E, Structure reports online 20111001
4,4'-Bipyridine-pyridine-3,5-dicarb-oxy-lic acid (3/4).	Acta crystallographica. Section E, Structure reports online 20110801
catena-Poly[[[tetra-aqua-cobalt(II)]-μ-4,4'-bipyridine-κN:N'] pyridine-3,5-dicarboxyl-ate trihydrate].	Acta crystallographica. Section E, Structure reports online 20110701
3,5-Dicarboxypyridinium fluoride.	Acta crystallographica. Section E, Structure reports online 20110701
Poly[triaqua-tris-(μ(4)-pyridine-3,5-dicarboxyl-ato)dicerium(III)].	Acta crystallographica. Section E, Structure reports online 20110201
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Discrimination of small gas molecules through adsorption: reverse selectivity for hydrogen in a flexible metal-organic framework.	Inorganic chemistry 20091102
[H2O2 oxidation of 1,4-dihydropyridines over Mg2+ ion exchanged clinoptilolite and solventless solid state acid decomposition of ester to 3,5-pyridinedicarboxylic acid].	Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20091001
Poly[diaqua-(μ(2)-5-carboxy-pyridine-3-carboxyl-ato-κN:O)hemi(μ(2)-oxalato-κO,O:O,O)(μ(4)-pyridine-3,5-dicarboxyl-ato-κN:O:O:O)silver(I)terbium(III)].	Acta crystallographica. Section E, Structure reports online 20091001
Poly[diaqua-(μ(3)-pyridine-3,5-dicarboxyl-ato-κN:O:O)copper(II)].	Acta crystallographica. Section E, Structure reports online 20090501
Inhibitor scaffolds for 2-oxoglutarate-dependent histone lysine demethylases.	Journal of medicinal chemistry 20081127
Coordination cages of rhodium and iridium as exoreceptors for alkali metal ions.	Inorganic chemistry 20080721
Binding enhancements of nicotinic acid to water-soluble zinc porphyrins based on triple attractions of coordination, Coulomb, and CH-pi interactions.	Chemical & pharmaceutical bulletin 20080701
Poly[triaqua-μ(4)-pyridine-3,5-dicarboxyl-ato-barium(II)].	Acta crystallographica. Section E, Structure reports online 20080201
Poly[tetra-aqua-μ(3)-pyridine-3,5-dicarboxyl-ato-strontium(II)].	Acta crystallographica. Section E, Structure reports online 20080201
Addition-elimination in the reaction of alpha-hydroxyalkyl radicals with 3,5-pyridinedicarboxylic acid and nicotinic acid: example of inner sphere organic electron transfer.	The journal of physical chemistry. A 20071115
Sensitive femtosecond coherent anti-Stokes Raman spectroscopy discrimination between dipicolinic acid and dinicotinic acid.	Optics letters 20061101
Triggered ligand release coupled to framework rearrangement: generating crystalline porous coordination materials.	Inorganic chemistry 20061030
Phonon driven proton transfer in crystals with short strong hydrogen bonds.	The Journal of chemical physics 20060621
Influence of water content on the self-assembly of metal-organic frameworks based on pyridine-3,5-dicarboxylate.	Inorganic chemistry 20060320
Variable-temperature neutron diffraction studies of the short, strong hydrogen bonds in the crystal structure of pyridine-3,5-dicarboxylic acid.	Acta crystallographica. Section B, Structural science 20051201
Terminal co-ligand directed synthesis of a neutral, non-interpenetrated (10,3)-a metal-organic framework.	Chemical communications (Cambridge, England) 20050428
Potentiometric sensor for dipicolinic acid.	Biosensors & bioelectronics 20050315
Self-assembly of polymer and sheet structures in palladium(II) complexes containing carboxylic acid substituents.	Inorganic chemistry 20021007
A molybdenum-containing dehydrogenase catalyzing an unusual 2-hydroxylation of nicotinic acid.	Applied microbiology and biotechnology 20020401