5-hidroxipiridina-2-carboxilato de metilo - ≥97% , CAS No.30766-12-2

CAS: 30766-12-2 Cat. No.: M176070 Peso molecular: 153.14 Número EC: 857-630-1

GRADE & PURITY ≥97%

Synonyms

DTXSID80405832 | 5-HIDROXIL-2-PYRIDINECARBOXILATO DE METILO | AS-5315 | SCHEMBL164488 | ÁCIDO 2-PYRIDINECARBOXÍLICO, 5-HIDROXIL-, ESTER METÍLICO | EN300-316372 | ÁCIDO 5-HIDROXIL-2-PYRIDINECARBOXÍLICO ESTER METÍLICO | Éster metílico del ácido 5-hidroxipir

Storage

Temperatura ambiente

Shipped In

Normal

Specifications

Sinónimos

DTXSID80405832 | 5-HIDROXIL-2-PYRIDINECARBOXILATO DE METILO | AS-5315 | SCHEMBL164488 | ÁCIDO 2-PYRIDINECARBOXÍLICO, 5-HIDROXIL-, ESTER METÍLICO | EN300-316372 | ÁCIDO 5-HIDROXIL-2-PYRIDINECARBOXÍLICO ESTER METÍLICO | Éster metílico del ácido 5-hidroxipir

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Normal

Tipo de acción

INHIBITOR

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488194977
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194977
• Sonrisas canónicas: COC(=O)C1=NC=C(C=C1)O
• IUPAC Name: methyl 5-hydroxypyridine-2-carboxylate
• InChIKey: YYAYXDDHGPXWTA-UHFFFAOYSA-N
• INCHI: 1S/C7H7NO3/c1-11-7(10)6-3-2-5(9)4-8-6/h2-4,9H,1H3
• Isómeros SMILES: COC(=O)C1=NC=C(C=C1)O
• Peso molecular: 153.14
• Reaxy-Rn: 129461
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=129461&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Hydroxypyridines Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Hydroxypyridine - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 153.140 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 153.043 Da
• Monoisotopic Mass: 153.043 Da
• Topological Polar Surface Area: 59.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 149.000
• 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

Referencias

1. Yi Zhang, Ruijia Wang, Wei Lu, Wanning Li, Si Chen, Tao Chen.  (2022)  Mechanical tough and multicolor aggregation-induced emissive polymeric hydrogels for fluorescent patterning.  Nanoscale Advances,  5  (3): (725-732).  [PMID:36756500] [10.1039/D2NA00757F]