Ethyl 1-(5-chloro-3-fluoropyridin-2-yl)-5-methylpyrazole-4-carboxylate - ≥98% , CAS No.1150164-40-1

CAS: 1150164-40-1 Cat. No.: E179627 Peso molecular: 283.7

GRADE & PURITY ≥98%

Synonyms

Ethyl 1-(5-chloro-3-fluoropyridin-2-yl)-5-methyl-1H-pyrazole-4-carboxylate | Ethyl1-(5-chloro-3-fluoropyridin-2-yl)-5-methyl-1H-pyrazole-4-carboxylate | SCHEMBL15167515 | 1H-Pyrazole-4-carboxylic acid, 1-(5-chloro-3-fluoro-2-pyridinyl)-5-methyl-, ethyl es

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Ethyl 1-(5-chloro-3-fluoropyridin-2-yl)-5-methyl-1H-pyrazole-4-carboxylate | Ethyl1-(5-chloro-3-fluoropyridin-2-yl)-5-methyl-1H-pyrazole-4-carboxylate | SCHEMBL15167515 | 1H-Pyrazole-4-carboxylic acid, 1-(5-chloro-3-fluoro-2-pyridinyl)-5-methyl-, ethyl es

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C1=C(N(N=C1)C2=C(C=C(C=N2)Cl)F)C
• IUPAC Name: ethyl 1-(5-chloro-3-fluoropyridin-2-yl)-5-methylpyrazole-4-carboxylate
• InChIKey: DMRULTFEXODORU-UHFFFAOYSA-N
• INCHI: 1S/C12H11ClFN3O2/c1-3-19-12(18)9-6-16-17(7(9)2)11-10(14)4-8(13)5-15-11/h4-6H,3H2,1-2H3
• Isómeros SMILES: CCOC(=O)C1=C(N(N=C1)C2=C(C=C(C=N2)Cl)F)C
• Peso molecular: 283.7
• Reaxy-Rn: 23802278
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23802278&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyrazolylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyrazolylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolylpyridines
• Alternative Parents: Pyrazole carboxylic acids and derivatives Polyhalopyridines Aryl fluorides Aryl chlorides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-pyrazolylpyridine - Polyhalopyridine - Pyrazole-4-carboxylic acid or derivatives - Aryl chloride - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - Vinylogous amide - Pyrazole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organofluoride - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a bond.
• 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: 283.680 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 283.052 Da
• Monoisotopic Mass: 283.052 Da
• Topological Polar Surface Area: 57.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 334.000
• 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