3,5-Pyridinedicarboxylic acid - CAS 499-81-0

Catalog:	BB026877
Product Name:	3,5-Pyridinedicarboxylic acid
CAS:	499-81-0
Synonyms:	3,5-Pyridinedicarboxylate; 5-Carboxynicotinic acid; Dinicotinic acid; NSC 6497

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	pyridine-3,5-dicarboxylic acid
Description:	Competitive inhibitor of butyrobetaine hydroxylase.
Molecular Weight:	167.12
Molecular Formula:	C7H5NO4
Canonical SMILES:	C1=C(C=NC=C1C(=O)O)C(=O)O
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
Boiling Point:	463.7±30.0°C at 760 mmHg
Melting Point:	324°C
Purity:	≥95%
Density:	1.551±0.06 g/cm3
Appearance:	White crystal powder
Storage:	Store at RT
MDL:	MFCD00006393
LogP:	0.47800
Refractive Index:	1.62

Publication Number	Title	Priority Date
CN-113480768-A	Preparation method of ordered low-surface-energy polymer film with multi-scale structure	20210727
CN-113117745-A	Preparation method and application of metal-free catalyst	20210413
CN-113097513-A	Fe-based bimetallic zinc-air battery cathode catalyst based on layered MOF derivation and preparation method thereof	20210402
CN-113368824-A	Preparation method of modified zirconium-based metal-organic framework material MOF-808	20210308
CN-112939881-A	Bi-component organic room temperature phosphorescent material and preparation method thereof	20210219

PMID	Publication Date	Title	Journal
22842509	20120921	2D-1D structural phase transformation of Co(II) 3,5-pyridinedicarboxylate frameworks with chromotropism	Dalton transactions (Cambridge, England : 2003)
22719374	20120601	Poly[diaqua-(μ(5)-pyridine-3,5-dicarboxyl-ato)strontium]	Acta crystallographica. Section E, Structure reports online
22346808	20120201	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
22523999	20120101	Photochemical hydrogen production from water using three-dimensional Zn-Pd metal-organic frameworks	Journal of nanoscience and nanotechnology
22114013	20111223	Giant deuteron migration during the isosymmetric phase transition in deuterated 3,5-pyridinedicarboxylic acid	Chemistry (Weinheim an der Bergstrasse, Germany)

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide

Pyridines

[14993-80-7]
2-(6-Methylpyridin-2-yl)acetonitrile
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[76167-49-2]
2-(Pyridin-3-yloxy)aniline
[942206-23-7]
2,5-Dichloro-3-iodopyridine
[7356-60-7]
3-Amidinopyridine Hydrochloride
[643762-61-2]
3-Bromo-2-(bromomethyl)-6-fluoropyridine

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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].
Signal Word:	Warning

Complexity:	184
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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1