6-Methylnicotinamide - ≥98%(HPLC) , CAS No.6960-22-1

CAS: 6960-22-1 Cat. No.: M139191 Fórmula: C₇H₈N₂O Peso molecular: 136.15 Número CE: 624-639-5

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-Methylpyridine-5-carboxamide | 2-(1H-Tetrazol-5-yl)phenylboronic acid | 6-Methylpyridine-3-carboxamide, 98% | Oprea1_578035 | Regorafenib (BAY 73-4506) | Z57493539 | 3-Pyridinecarboxamide, 6-methyl- | J-518914 | SY023122 | PD166625 | NSC69797 | NSC-6979

Storage

Room temperature

Shipped In

Normal

Visão geral

6-Methylpyridine-3-carboxamide may be used in chemical synthesis studies.

Specifications

Sinónimos

2-Methylpyridine-5-carboxamide | 2-(1H-Tetrazol-5-yl)phenylboronic acid | 6-Methylpyridine-3-carboxamide, 98% | Oprea1_578035 | Regorafenib (BAY 73-4506) | Z57493539 | 3-Pyridinecarboxamide, 6-methyl- | J-518914 | SY023122 | PD166625 | NSC69797 | NSC-6979

Especificações e pureza

≥98%(HPLC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(HPLC)

Nomes e identificadores

• Pubchem Sid: 488186991
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186991
• Sorrisos canónicos: CC1=NC=C(C=C1)C(=O)N
• IUPAC Name: 6-methylpyridine-3-carboxamide
• InChIKey: IJXDURUAYOKSIS-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2O/c1-5-2-3-6(4-9-5)7(8)10/h2-4H,1H3,(H2,8,10)
• SMILES isoméricas: CC1=NC=C(C=C1)C(=O)N
• WGK Alemanha: 3
• Peso molecular: 136.15
• Reaxy-Rn: 112050
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112050&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: Methylpyridines Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nicotinamide - Methylpyridine - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 197-199°C
• Peso molecular: 136.150 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.064 Da
• Monoisotopic Mass: 136.064 Da
• Topological Polar Surface Area: 56.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 136.000
• 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 6960-22-1, the molecular formula is C7H8N2O, and the molecular weight is 136.15 g/mol. InChIKey IJXDURUAYOKSIS-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.