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

CAS: 609-71-2 Cat. No.: H128113 분자식: C₆H₅NO₃ 분자량: 139.11 Beilstein Registry Number: 472167 EC 번호: 210-198-2

등급 & 순도 ≥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

개요

2-Hydroxynicotinic Acid may be used in chemical synthesis

사양

동의어

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

사양 및 순도

≥99%

보관 조건

Room temperature

배송

Normal

순수함

≥99%

이름과 식별자

Pubchem Sid

504754338

Pubchem Sid Url

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

정식 스마일

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)

이성체 SMILES

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

WGK 독일

3

분자량

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
    • 분류 Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

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

관련 대상(비인간)

Rattus norvegicus (775804 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: formic acid: soluble50 mg/mL, clear, colorless to yellow
• 녹는점(°C): 260℃
• 분자량: 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