2-Hydroxynicotinic Acid - ≥99% , CAS No.609-71-2

CAS: 609-71-2 Cat. No.: H128113 Molecular Weight: 139.11 Beilstein Registry Number: 472167 EC Number: 210-198-2

GRADE & PURITY ≥99%

Synonyms

2-Hydroxypyridine-3-carboxylic acid, 98% | F2190-0004 | Q27290030 | AB01020 | AB7337 | Oprea1_483223 | ES6 | AKOS000103823 | 2-oxo-1,2-dihydro-3-pyridinecarboxylic acid | DTXSID20209735 | UEYQJQVBUVAELZ-UHFFFAOYSA- | AM20070024 | BBL009636 | CHEBI:166572

Storage

Room temperature

Shipped In

Normal

Overview

2-Hydroxynicotinic Acid may be used in chemical synthesis

Specifications

Synonyms

2-Hydroxypyridine-3-carboxylic acid, 98% | F2190-0004 | Q27290030 | AB01020 | AB7337 | Oprea1_483223 | ES6 | AKOS000103823 | 2-oxo-1, 2-dihydro-3-pyridinecarboxylic acid | DTXSID20209735 | UEYQJQVBUVAELZ-UHFFFAOYSA- | AM20070024 | BBL009636 | CHEBI:166572

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504754338
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754338
• Canonical Smiles: C1=CNC(=O)C(=C1)C(=O)O
• IUPAC Name: 2-oxo-1H-pyridine-3-carboxylic acid
• InChIKey: UEYQJQVBUVAELZ-UHFFFAOYSA-N
• INCHI: 1S/C6H5NO3/c8-5-4(6(9)10)2-1-3-7-5/h1-3H,(H,7,8)(H,9,10)
• Isomeric SMILES: C1=CNC(=O)C(=C1)C(=O)O
• WGK Germany: 3
• Molecular Weight: 139.11
• Beilstein: 472167
• Reaxy-Rn: 472167
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=472167&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• 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: Dihydropyridinecarboxylic acids and derivatives Pyridinones Vinylogous amides Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid - Dihydropyridine - Pyridinone - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Lactam - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

NAPRT Tchem Nicotinate phosphoribosyltransferase (2 Activities)

Discover Target: NAPRT

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CSNK2A1 Tchem Casein kinase II alpha (3512 Activities)

Discover Target: CSNK2A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: formic acid: soluble50 mg/mL, clear, colorless to yellow
• Melt Point(°C): 260℃
• Molecular Weight: 139.110 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 139.027 Da
• Monoisotopic Mass: 139.027 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 239.000
• 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

References

1. Wanru Gao, Yuping Li, Yunping Zhoujin, Qun Zeng, Liwen Fang, Sean Parkin, Tonglei Li, Shigang Ruan, Sihui Long.  (2023)  A Peptoid-like Approach Led to Lactam–Lactam Dimer Formation in 2-Hydroxy-N-alkyl-N-phenyl-nicotinamides and Their Polymorphism and Solvatomorphism.  ACS Omega,      [PMID:38075820] [10.1021/acsomega.3c04980]

2. Hai-Bo Wu, Xian-Tai Zhou, Xiao-Wu Zhou, Yan-Xiong Fang.  (2023)  Ring-Opening Polymerization of ϵ-Caprolactone by Benzoic Acid in the Presence of Benzyl Alcohol as Initiator.  ChemistrySelect,  8  (34): (e202301948).  [PMID:] [10.1002/slct.202301948]

3. Wengang Zhang, Yong Han, Xiumei Chen, Xueli Luo, Jianlong Wang, Tianli Yue, Zhonghong Li.  (2017)  Surface molecularly imprinted polymer capped Mn-doped ZnS quantum dots as a phosphorescent nanosensor for detecting patulin in apple juice.  FOOD CHEMISTRY,      [PMID:28490057] [10.1016/j.foodchem.2017.03.156]

4. San-Tai Wang, Guo-Long Wang, Zhiwei Xin, Junhua Xu, Chao Zhao, Lisheng Chi, Jian Zhang, Wei-Hui Fang.  (2026)  Designed synthesis of silver-on-Boehmite platform with surface substitution toward atom-economic iodine adsorption.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2026.173984]