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

CAS: 609-71-2 Cat. No.: H128113 分子式: C₆H₅NO₃ 分子量: 139.11 Beilstein Registry Number: 472167 EC番号: 210-198-2

グレード＆純度 ≥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

概要

2-Hydroxynicotinic Acid may be used in chemical synthesis

仕様

同義語

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

仕様と純度

≥99%

保管条件

Room temperature

入荷

Normal

純度

≥99%

名前と識別子

パブケム・シド

504754338

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504754338

カノニカル・スマイル

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)

異性体SMILES

C1=CNC(=O)C(=C1)C(=O)O

WGKドイツ

3

分子量

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
    • 分類 Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

関連ターゲット（非人間）

Rattus norvegicus (775804 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: formic acid: soluble50 mg/mL, clear, colorless to yellow
• 融点（°C）: 260℃
• 分子量: 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