3,5-Pyridinedicarboxylic acid

Inquiry

Molecular Formula:

C7H5NO4

Molecular Weight:

167.12

CAS Number:

499-81-0

Catalog Number:

499-81-0

Product Information

Molecular Formula:

C7H5NO4

Molecular Weight:

167.12

Description

Competitive inhibitor of butyrobetaine hydroxylase.

Synonyms

3,5-Pyridinedicarboxylate; 5-Carboxynicotinic acid; Dinicotinic acid; NSC 6497

IUPAC Name

pyridine-3,5-dicarboxylic acid

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

Refractive Index

1.62

LogP

0.47800

Safety Information

Hazards

H315:
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].

Signal Word

Warning

Computed Properties

XLogP3

-0.1

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

184

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
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CN-113480768-A	Preparation method of ordered low-surface-energy polymer film with multi-scale structure	2021-07-27
CN-113634271-A	Co-MOF derivative photo-thermal catalyst for photo-thermal catalytic purification of VOCs, and preparation method and application thereof	2021-07-16
CN-113540471-A	Three-dimensional porous current collector material and preparation method and application thereof	2021-07-13
CN-113277510-A	Synthetic method for preparing porous carbon material by using small molecules	2021-05-31
CN-113117745-A	Preparation method and application of metal-free catalyst	2021-04-13
CN-113097513-A	Fe-based bimetallic zinc-air battery cathode catalyst based on layered MOF derivation and preparation method thereof	2021-04-02
CN-113105485-A	Rare earth ternary complex heat stabilizer and preparation method and application thereof	2021-03-10

Literatures

PMID	Publication Date	Title	Journal
22842509	2012-09-21	2D-1D structural phase transformation of Co(II) 3,5-pyridinedicarboxylate frameworks with chromotropism	Dalton transactions (Cambridge, England : 2003)
22719374	2012-06-01	Poly[diaqua-(μ(5)-pyridine-3,5-dicarboxyl-ato)strontium]	Acta crystallographica. Section E, Structure reports online
22346808	2012-02-01	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	2012-01-01	Photochemical hydrogen production from water using three-dimensional Zn-Pd metal-organic frameworks	Journal of nanoscience and nanotechnology
22114013	2011-12-23	Giant deuteron migration during the isosymmetric phase transition in deuterated 3,5-pyridinedicarboxylic acid	Chemistry (Weinheim an der Bergstrasse, Germany)
21910459	2011-10-27	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
22058724	2011-10-01	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
22091061	2011-08-01	4,4'-Bipyridine-pyridine-3,5-dicarb-oxy-lic acid (3/4)	Acta crystallographica. Section E, Structure reports online
21836946	2011-07-01	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
21837062	2011-07-01	3,5-Dicarboxypyridinium fluoride	Acta crystallographica. Section E, Structure reports online

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