3,5-Pyridinedicarboxylic acid
Product Information
Molecular Formula
C7H5NO4
Molecular Weight
167.12
Description
An impurity of Nicardipine, which is a calcium channel blocker used to treat high blood pressure and angina.
Synonyms
3,5-Pyridinedicarboxylate; 5-Carboxynicotinic acid; Dinicotinic acid; NSC 6497
IUPAC Name
pyridine-3,5-dicarboxylic acid
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.
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
-0.1
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
184
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 |
|---|---|---|
| CN-114181406-A | Modified low-protein natural latex with antibacterial effect and preparation method thereof | 2021-12-03 |
| CN-113861688-A | Low-dielectric polyphenylene sulfide composite material and preparation method thereof | 2021-10-28 |
| CN-113667136-A | Ultrahigh-stability and low-cost metal-organic framework material for efficiently separating acetylene/carbon dioxide and preparation method thereof | 2021-09-09 |
| 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 |
