N-(2-Cyanophenyl)picolinamide - ≥95% , CAS No.304650-02-0

CAS: 304650-02-0 Cat. No.: N588647 Fórmula: C₁₃H₉N₃O Peso molecular: 223.23 Número EC: 802-186-6

GRADE & PURITY ≥95%

Synonyms

Z26489169 | DTXSID90640853 | CMOBXBANKIGTSJ-UHFFFAOYSA-N | SY190930 | AMY39518 | SCHEMBL321681 | 2-Pyridinecarboxamide, N-(2-cyanophenyl)- | AKOS000184685 | BCP10586 | N-(2-cyanophenyl)pyridine-2-carboxamide | N-(2-CYANOPHENYL)PICOLINAMIDE | AS-75708 | SB

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

Z26489169 | DTXSID90640853 | CMOBXBANKIGTSJ-UHFFFAOYSA-N | SY190930 | AMY39518 | SCHEMBL321681 | 2-Pyridinecarboxamide, N-(2-cyanophenyl)- | AKOS000184685 | BCP10586 | N-(2-cyanophenyl)pyridine-2-carboxamide | N-(2-CYANOPHENYL)PICOLINAMIDE | AS-75708 | SB

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Desiccated

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

504769776

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769776

Sonrisas canónicas

C1=CC=C(C(=C1)C#N)NC(=O)C2=CC=CC=N2

IUPAC Name

N-(2-cyanophenyl)pyridine-2-carboxamide

InChIKey

CMOBXBANKIGTSJ-UHFFFAOYSA-N

INCHI

1S/C13H9N3O/c14-9-10-5-1-2-6-11(10)16-13(17)12-7-3-4-8-15-12/h1-8H,(H,16,17)

Isómeros SMILES

C1=CC=C(C(=C1)C#N)NC(=O)C2=CC=CC=N2

Peso molecular

223.23

Reaxy-Rn

19075972

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19075972&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Pyridinecarboxamides Benzonitriles 2-heteroaryl carboxamides Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aromatic anilide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Benzonitrile - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl 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: 223.230 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 223.075 Da
• Monoisotopic Mass: 223.075 Da
• Topological Polar Surface Area: 65.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 320.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 304650-02-0, the molecular formula is C13H9N3O, and the molecular weight is 223.23 g/mol. InChIKey CMOBXBANKIGTSJ-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.