6-Chloronicotinamide - ≥98%(HPLC) , CAS No.6271-78-9

CAS: 6271-78-9 Cat. No.: C154058 Fórmula: C₆H₅ClN₂O Peso molecular: 156.57 Beilstein Registry Number: 22,44 Número CE: 228-456-8

GRADE & PURITY ≥98%(HPLC)

Synonyms

EN300-25367 | NSC37821 | NSC-37821 | 6-chloropyridine-3-carboxamide | Abbott 40174 | AM20061388 | 3-Pyridinecarboxamide, 6-chloro- | UNII-K75J71K86L | AB8937 | FT-0621080 | SY004157 | AS-8573 | 6-chloronicotinic acid amide | A23896 | SCHEMBL388168 | Z3354

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

EN300-25367 | NSC37821 | NSC-37821 | 6-chloropyridine-3-carboxamide | Abbott 40174 | AM20061388 | 3-Pyridinecarboxamide, 6-chloro- | UNII-K75J71K86L | AB8937 | FT-0621080 | SY004157 | AS-8573 | 6-chloronicotinic acid amide | A23896 | SCHEMBL388168 | Z3354

Especificações e pureza

≥98%(HPLC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(HPLC)

Nomes e identificadores

• Pubchem Sid: 488185860
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185860
• Sorrisos canónicos: C1=CC(=NC=C1C(=O)N)Cl
• IUPAC Name: 6-chloropyridine-3-carboxamide
• InChIKey: ZIJAZUBWHAZHPL-UHFFFAOYSA-N
• INCHI: 1S/C6H5ClN2O/c7-5-2-1-4(3-9-5)6(8)10/h1-3H,(H2,8,10)
• SMILES isoméricas: C1=CC(=NC=C1C(=O)N)Cl
• WGK Alemanha: 3
• Peso molecular: 156.57
• Beilstein: 22,44
• Reaxy-Rn: 116043
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116043&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives
        • Level5 Pyridinecarboxamides
          • Level6 Nicotinamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Pyridinecarboxamides
• Direct Parent: Nicotinamides
• Alternative Parents: 2-halopyridines Aryl chlorides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nicotinamide - 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide 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

Propriedades químicas e físicas

• Peso molecular: 156.570 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 156.009 Da
• Monoisotopic Mass: 156.009 Da
• Topological Polar Surface Area: 56.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 140.000
• 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, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. 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 6271-78-9, the molecular formula is C6H5ClN2O, and the molecular weight is 156.57 g/mol. InChIKey ZIJAZUBWHAZHPL-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.