Methyl 2-Chloro-5-Fluoronicotinate - ≥97% , CAS No.847729-27-5

CAS: 847729-27-5 Cat. No.: M177607 Peso molecular: 189.57

GRADE & PURITY ≥97%

Synonyms

Methyl 2-chloro-5-fluoronicotinate, AldrichCPR | DTXSID30640099 | P10765 | SCHEMBL2582436 | Methyl 2-chloro-5-fluoronicotinate | MFCD09763661 | 3-PYRIDINECARBOXYLIC ACID,2-CHLORO-5-FLUORO-,METHYL ESTER | FT-0678316 | AMY3514 | VYUNQTNDEVFXPO-UHFFFAOYSA-N

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Methyl 2-chloro-5-fluoronicotinate, AldrichCPR | DTXSID30640099 | P10765 | SCHEMBL2582436 | Methyl 2-chloro-5-fluoronicotinate | MFCD09763661 | 3-PYRIDINECARBOXYLIC ACID, 2-CHLORO-5-FLUORO-, METHYL ESTER | FT-0678316 | AMY3514 | VYUNQTNDEVFXPO-UHFFFAOYSA-N

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504769749
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769749
• Sonrisas canónicas: COC(=O)C1=C(N=CC(=C1)F)Cl
• IUPAC Name: methyl 2-chloro-5-fluoropyridine-3-carboxylate
• InChIKey: VYUNQTNDEVFXPO-UHFFFAOYSA-N
• INCHI: 1S/C7H5ClFNO2/c1-12-7(11)5-2-4(9)3-10-6(5)8/h2-3H,1H3
• Isómeros SMILES: COC(=O)C1=C(N=CC(=C1)F)Cl
• Peso molecular: 189.57
• Reaxy-Rn: 10246439
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10246439&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: Polyhalopyridines 2-halopyridines Aryl fluorides Aryl chlorides Vinylogous halides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl fluoride - Aryl halide - Methyl ester - Vinylogous halide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxide - Organic nitrogen compound - 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

• Peso molecular: 189.570 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 188.999 Da
• Monoisotopic Mass: 188.999 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 179.000
• 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