Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 55 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Application
Isonicotinic acid (IN) can be used as:
An organocatalyst in the one pot four component condensation reaction, to synthesize pyranopyrazoles based heterocyclic compounds.
An organic ligand for the preparation of copper(I) halide coordination polymer CuBr(IN)n, by hydrothermal method.
As a starting material for the synthesis of cation-dimers with potent antimalarial activity.It acts as an useful isomer of nicotinic acid.
| Canonical Smiles | C1=CN=CC=C1C(=O)O |
|---|---|
| IUPAC Name | pyridine-4-carboxylic acid |
| InChIKey | TWBYWOBDOCUKOW-UHFFFAOYSA-N |
| INCHI | 1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9) |
| Isomeric SMILES | C1=CN=CC=C1C(=O)O |
| WGK Germany | 2 |
| RTECS | NS1103000 |
| Molecular Weight | 123.11 |
| Beilstein | 109599 |
| Reaxy-Rn | 109599 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109599&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Pyridinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinecarboxylic acids |
| Alternative Parents | Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine carboxylic acid - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group. |
| External Descriptors | pyridinemonocarboxylic acid |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Sensitivity | Light sensitive. |
|---|---|
| Boil Point(°C) | 260°/15mm |
| Melt Point(°C) | 316°C |
| Molecular Weight | 123.110 g/mol |
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 123.032 Da |
| Monoisotopic Mass | 123.032 Da |
| Topological Polar Surface Area | 50.200 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 108.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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| 2. Yangyang Sun, Zhuzhu Tang, Yanjun Li, Yongkang Song, Hualei Wang, Dongzhi Wei, Shengli Yang. (2023) Identification and evolution of non-traditional nitrilase from Spirosoma linguale DSM 74 with high hydration activity. BIOORGANIC CHEMISTRY, [PMID:38185008] [10.1016/j.bioorg.2023.107055] |
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| 6. Fangfang Li, Yueyue Hu, Yong Cheng, Ying-Hua Zhou. (2023) Design of composite based on UiO-66 and ionic liquid for the CO2 conversion into cyclocarbonate. MICROPOROUS AND MESOPOROUS MATERIALS, [PMID:] [10.1016/j.micromeso.2023.112909] |
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| 10. Zhaoyang Qi, Jinyi Chen, Jie Chen, Ting Qiu, Changshen Ye. (2023) Studies on the Stability and Deactivation Mechanism of Immobilized Ionic Liquids in Catalytic Esterification Reactions. LANGMUIR, [PMID:36599647] [10.1021/acs.langmuir.2c02937] |
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| 13. Panpan Xu, Tingting Xu, Mingguang Ma, Xia Qiu, Yue Wang, Yinggui Zhu. (2022) Significantly enhanced electrochemiluminescence of nalidixic acid/S2O82− system by isonicotinic as Co-reaction accelerator for ultrasensitive detection of tetraethylenepentamine. JOURNAL OF ELECTROANALYTICAL CHEMISTRY, [PMID:] [10.1016/j.jelechem.2022.116930] |
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| 15. Kai Zhang, Caixia Li, Yu Zhang, Xiaoni Liu, Minghui Wang, Lei Wang. (2022) Oxygen vacancies in open-hollow microcapsule enable accelerated kinetics for stable Li-S battery. JOURNAL OF COLLOID AND INTERFACE SCIENCE, [PMID:36195020] [10.1016/j.jcis.2022.09.128] |
| 16. Shao-Min Wang, Hao-Ling Lan, Guo-Wei Guan, Qing-Yuan Yang. (2022) Amino-Functionalized Microporous MOFs for Capturing Greenhouse Gases CF4 and NF3 with Record Selectivity. ACS Applied Materials & Interfaces, [PMID:36001809] [10.1021/acsami.2c12164] |
| 17. Shuai Yang, Yang He, Jinsong Leng. (2022) Zwitterionic Poly(aryl ether ketone) with Water-Actuated, Reshaping-Reconfiguration Ability and Triple Shape Memory Effect. ACS Applied Polymer Materials, [PMID:] [10.1021/acsapm.2c00245] |
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| 27. Hongkai Zhao, Xiaoxia Li, Mingyue Zheng, Xian Zhao, Qun Zhang, Yi Luo, Weiliu Fan. (2020) Amorphous TiO2 as a multifunctional interlayer for boosting the efficiency and stability of the CdS/cobaloxime hybrid system for photocatalytic hydrogen production. Nanoscale, 12 (20): (11267-11279). [PMID:32415828] [10.1039/D0NR01453B] |
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| 31. Wenqing Li, Rong Wang, Zilin Chen. (2019) Metal-organic framework-1210(zirconium/cuprum) modified magnetic nanoparticles for solid phase extraction of benzophenones in soil samples. JOURNAL OF CHROMATOGRAPHY A, [PMID:31378523] [10.1016/j.chroma.2019.460403] |
| 32. Shengwen Kong, Xiaodong Wang, Lu Bai, Ying Song, Fanbao Meng. (2019) Multi-arm ionic liquid crystals formed by pyridine-mesophase and copper phthalocyanine. JOURNAL OF MOLECULAR LIQUIDS, [PMID:] [10.1016/j.molliq.2019.111012] |
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