5-(2,5-Difluorophenyl)picolinic acid - ≥97% , CAS No.1261947-80-1

CAS: 1261947-80-1 Cat. No.: D180889 Fórmula: C₁₂H₇F₂NO₂ Peso molecular: 235.2 PubChem CID: 53211474

GRADE & PURITY ≥97%

Synonyms

1261947-80-1 | 5-(2,5-difluorophenyl)pyridine-2-carboxylic acid | DTXSID00681373 | MFCD17607677 | 5-(2,5-Difluorophenyl)picolinic acid | 5-(2,5-Difluorophenyl)picolinicacid | 2-Pyridinecarboxylic acid, 5-(2,5-difluorophenyl)- | AKOS012257857

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1261947-80-1 | 5-(2,5-difluorophenyl)pyridine-2-carboxylic acid | DTXSID00681373 | MFCD17607677 | 5-(2,5-Difluorophenyl)picolinic acid | 5-(2,5-Difluorophenyl)picolinicacid | 2-Pyridinecarboxylic acid, 5-(2,5-difluorophenyl)- | AKOS012257857

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

C1=CC(=C(C=C1F)C2=CN=C(C=C2)C(=O)O)F

IUPAC Name

5-(2,5-difluorophenyl)pyridine-2-carboxylic acid

InChIKey

YYSUWABBJBNJIL-UHFFFAOYSA-N

INCHI

1S/C12H7F2NO2/c13-8-2-3-10(14)9(5-8)7-1-4-11(12(16)17)15-6-7/h1-6H,(H,16,17)

SMILES isoméricas

C1=CC(=C(C=C1F)C2=CN=C(C=C2)C(=O)O)F

PubChem CID

53211474

Peso molecular

235.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Pyridinecarboxylic acids Fluorobenzenes Aryl fluorides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylpyridine - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN 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

Propriedades químicas e físicas

• Peso molecular: 235.190 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 235.044 Da
• Monoisotopic Mass: 235.044 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 288.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1261947-80-1, the molecular formula is C12H7F2NO2, and the molecular weight is 235.2 g/mol. InChIKey YYSUWABBJBNJIL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.