2,6-Difluoroisonicotinic acid - ≥97% , CAS No.88912-23-6

CAS: 88912-23-6 Cat. No.: D590571 Fórmula: C₆H₃NO₂F₂ Peso molecular: 159.09

CALIDAD & PUREZA ≥97%

Synonyms

UDPPKJDEENEJQG-UHFFFAOYSA-N | FT-0658188 | J-507478 | 2,6-Difluoroisonicotinic acid | 2,6-Difluoro-isonicotinic acid | AMY6941 | BBL101131 | DS-4360 | PB48300 | AKOS005256775 | 2,6-bis(fluoranyl)pyridine-4-carboxylic acid | SCHEMBL2857162 | STL554927 | SY

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Especificaciones

Sinónimos

UDPPKJDEENEJQG-UHFFFAOYSA-N | FT-0658188 | J-507478 | 2,6-Difluoroisonicotinic acid | 2,6-Difluoro-isonicotinic acid | AMY6941 | BBL101131 | DS-4360 | PB48300 | AKOS005256775 | 2,6-bis(fluoranyl)pyridine-4-carboxylic acid | SCHEMBL2857162 | STL554927 | SY

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

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

528755601

Sonrisas canónicas

C1=C(C=C(N=C1F)F)C(=O)O

IUPAC Name

2,6-difluoropyridine-4-carboxylic acid

InChIKey

UDPPKJDEENEJQG-UHFFFAOYSA-N

INCHI

1S/C6H3F2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H,10,11)

Isómeros SMILES

C1=C(C=C(N=C1F)F)C(=O)O

CAS alternativo

88912-23-6

Peso molecular

159.09

Reaxy-Rn

10657166

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10657166&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 Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Polyhalopyridine - 2-halopyridine - Aryl fluoride - Aryl halide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen 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

• Peso molecular: 159.090 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 159.013 Da
• Monoisotopic Mass: 159.013 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 155.000
• 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