6-Chloro-N-methylnicotinamide - ≥96% , CAS No.54189-82-1

CAS: 54189-82-1 Cat. No.: C193841 Summenformel: C₇H₇ClN₂O Molekulargewicht: 170.6

GRADE & PURITY ≥96%

Synonyms

AS-8415 | A870525 | SY107933 | 6-chloro-N-methylnicotinamide | 6-Chloro-N-methyl-nicotinamide | 2-Chloro-5-(methylaminocarbonyl)pyridine | MFCD08460991 | 6-chloro-nicotinic acid N-methylamide | SCHEMBL103123 | N11734 | DTXSID30494337 | 3-Pyridinecarboxami

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

AS-8415 | A870525 | SY107933 | 6-chloro-N-methylnicotinamide | 6-Chloro-N-methyl-nicotinamide | 2-Chloro-5-(methylaminocarbonyl)pyridine | MFCD08460991 | 6-chloro-nicotinic acid N-methylamide | SCHEMBL103123 | N11734 | DTXSID30494337 | 3-Pyridinecarboxami

Spezifikationen & Reinheit

≥96%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥96%

Namen und Kennungen

• Pubchem Sid: 504767079
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767079
• Kanonisches Lächeln: CNC(=O)C1=CN=C(C=C1)Cl
• IUPAC Name: 6-chloro-N-methylpyridine-3-carboxamide
• InChIKey: DEYOMDZKXMQLCF-UHFFFAOYSA-N
• INCHI: 1S/C7H7ClN2O/c1-9-7(11)5-2-3-6(8)10-4-5/h2-4H,1H3,(H,9,11)
• Isomere SMILES: CNC(=O)C1=CN=C(C=C1)Cl
• Molekulargewicht: 170.6
• Reaxy-Rn: 473051
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=473051&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives
        • Ebene5 Pyridinecarboxamides
          • Ebene6 Nicotinamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Pyridinecarboxamides
• Direct Parent: Nicotinamides
• Alternative Parents: 2-halopyridines Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic 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 - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 170.590 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 170.025 Da
• Monoisotopic Mass: 170.025 Da
• Topological Polar Surface Area: 42.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 151.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 54189-82-1, the molecular formula is C7H7ClN2O, and the molecular weight is 170.6 g/mol. InChIKey DEYOMDZKXMQLCF-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.