Ethyl 2-formylpyridine-4-carboxylate - ≥97% , CAS No.21908-08-7

CAS: 21908-08-7 Cat. No.: E175752 Fórmula: C₉H₉NO₃ Peso molecular: 179.17

GRADE & PURITY ≥97%

Synonyms

SCHEMBL5366168 | Ethyl 2-formylisonicotinate | BCP23765 | MFCD13659319 | DTXSID50598962 | DS-3520 | 4-Pyridinecarboxylic acid, 2-formyl-, ethyl ester | UWXSUYORWIRRCH-UHFFFAOYSA-N | Ethyl2-formylisonicotinate | ethyl 2-formylpyridine-4-carboxylate | 2-for

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL5366168 | Ethyl 2-formylisonicotinate | BCP23765 | MFCD13659319 | DTXSID50598962 | DS-3520 | 4-Pyridinecarboxylic acid, 2-formyl-, ethyl ester | UWXSUYORWIRRCH-UHFFFAOYSA-N | Ethyl2-formylisonicotinate | ethyl 2-formylpyridine-4-carboxylate | 2-for

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

528757468

Sorrisos canónicos

CCOC(=O)C1=CC(=NC=C1)C=O

IUPAC Name

ethyl 2-formylpyridine-4-carboxylate

InChIKey

UWXSUYORWIRRCH-UHFFFAOYSA-N

INCHI

1S/C9H9NO3/c1-2-13-9(12)7-3-4-10-8(5-7)6-11/h3-6H,2H2,1H3

SMILES isoméricas

CCOC(=O)C1=CC(=NC=C1)C=O

Peso molecular

179.17

Reaxy-Rn

474793

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=474793&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Pyridine carboxaldehydes Aryl-aldehydes Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - 2-pyridine carboxaldehyde - Aryl-aldehyde - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aldehyde - Aromatic heteromonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 179.170 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 179.058 Da
• Monoisotopic Mass: 179.058 Da
• Topological Polar Surface Area: 56.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 193.000
• 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