Methyl 5-methoxypyridine-3-carboxylate - ≥97% , CAS No.29681-46-7

CAS: 29681-46-7 Cat. No.: M169361 Peso molecular: 167.16 Número EC: 625-210-5

GRADE & PURITY ≥97%

Synonyms

SCHEMBL1439962 | AKOS015851681 | EN300-1073126 | Methyl 5-methoxypyridine 3-carboxylate | FT-0652561 | Methyl 5-methoxypyridine-3-carboxylate, 90% | Methyl5-Methoxy-3-Pyridinecarboxylate | JIRJAOSTLIQOCY-UHFFFAOYSA-N | DTXSID80584878 | Methyl 5-methoxynic

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL1439962 | AKOS015851681 | EN300-1073126 | Methyl 5-methoxypyridine 3-carboxylate | FT-0652561 | Methyl 5-methoxypyridine-3-carboxylate, 90% | Methyl5-Methoxy-3-Pyridinecarboxylate | JIRJAOSTLIQOCY-UHFFFAOYSA-N | DTXSID80584878 | Methyl 5-methoxynic

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488199302
• Sonrisas canónicas: COC1=CN=CC(=C1)C(=O)OC
• IUPAC Name: methyl 5-methoxypyridine-3-carboxylate
• InChIKey: JIRJAOSTLIQOCY-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO3/c1-11-7-3-6(4-9-5-7)8(10)12-2/h3-5H,1-2H3
• Isómeros SMILES: COC1=CN=CC(=C1)C(=O)OC
• WGK Alemania: 3
• Peso molecular: 167.16
• Reaxy-Rn: 473380
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=473380&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: Alkyl aryl ethers Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Alkyl aryl ether - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - 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

• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110 °C
• Punto de fusión (°C): 54-59 °C
• Peso molecular: 167.160 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 167.058 Da
• Monoisotopic Mass: 167.058 Da
• Topological Polar Surface Area: 48.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 160.000
• 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