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

CAS: 304650-02-0 Cat. No.: N588647 Formule: C₁₃H₉N₃O Poids moléculaire: 223.23 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Pubchem Sid

504769776

Pubchem Sid Url

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

Sourires canoniques

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)

Isomères SMILES

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

Poids moléculaire

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
    • Classe Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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

Foire aux questions

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.