6-cloronicotinato de metilo - ≥98%(GC) , CAS No.73781-91-6

CAS: 73781-91-6 Cat. No.: M158734 Peso molecular: 171.58 Beilstein Registry Number: 22(4)509 Número EC: 628-797-6

GRADE & PURITY ≥98%(GC)

Synonyms

Methyl-6-chloronicotinate | methyl-6-chloro-nicotinate | 2F-320S | 2-chloro-5-methoxycarbonylpyridine | 3-Pyridinecarboxylic acid, 6-chloro-, methyl ester | SCHEMBL64640 | AKOS004910687 | A837923 | Methyl 6-chloro-3-picolinate | NSC78316 | NSC-78316 | 6-c

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

El 6-cloropiridin-3-carboxilato de metilo puede utilizarse para sintetizar 6-fenilnicotinamida fluoro sustituida, que muestra potencia antagonista del TRPV1. También puede utilizarse en la síntesis de ligandos del receptor retinoide x (RXR), que tienen muchas aplicaciones clínicas.

Specifications

Sinónimos

Methyl-6-chloronicotinate | methyl-6-chloro-nicotinate | 2F-320S | 2-chloro-5-methoxycarbonylpyridine | 3-Pyridinecarboxylic acid, 6-chloro-, methyl ester | SCHEMBL64640 | AKOS004910687 | A837923 | Methyl 6-chloro-3-picolinate | NSC78316 | NSC-78316 | 6-c

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488189054
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189054
• Sonrisas canónicas: COC(=O)C1=CN=C(C=C1)Cl
• IUPAC Name: methyl 6-chloropyridine-3-carboxylate
• InChIKey: RMEDXVIWDFLGES-UHFFFAOYSA-N
• INCHI: 1S/C7H6ClNO2/c1-11-7(10)5-2-3-6(8)9-4-5/h2-4H,1H3
• Isómeros SMILES: COC(=O)C1=CN=C(C=C1)Cl
• WGK Alemania: 3
• Peso molecular: 171.58
• Beilstein: 22(4)509
• Reaxy-Rn: 128648
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=128648&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: 2-halopyridines Aryl chlorides Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - 2-halopyridine - Aryl chloride - Aryl halide - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen 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

• Solubilidad: Insoluble in water, soluble in methanol, diethyl ether, ethanol.
• Sensibilidad: Air sensitive
• Punto de fusión (°C): 87 °C
• Peso molecular: 171.580 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 171.009 Da
• Monoisotopic Mass: 171.009 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 151.000
• 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