2-Bromo-N-ethylisonicotinamide - ≥98% , CAS No.951885-78-2

CAS: 951885-78-2 Cat. No.: B188647 Fórmula: C₈H₉BrN₂O Peso molecular: 229.1 PubChem CID: 46738659

GRADE & PURITY ≥98%

Synonyms

2-BROMO-N-ETHYLISONICOTINAMIDE|951885-78-2|2-bromo-N-ethylpyridine-4-carboxamide|N-ethyl 2-bromo-4-pyridinecarboxamide|DTXSID30674319|BNB88578|MFCD09878429|AKOS015834209|BS-24837|A859139

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-BROMO-N-ETHYLISONICOTINAMIDE | 951885-78-2 | 2-bromo-N-ethylpyridine-4-carboxamide | N-ethyl 2-bromo-4-pyridinecarboxamide | DTXSID30674319 | BNB88578 | MFCD09878429 | AKOS015834209 | BS-24837 | A859139

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

CCNC(=O)C1=CC(=NC=C1)Br

IUPAC Name

2-bromo-N-ethylpyridine-4-carboxamide

InChIKey

GCWDXUNXHMTGQF-UHFFFAOYSA-N

INCHI

1S/C8H9BrN2O/c1-2-10-8(12)6-3-4-11-7(9)5-6/h3-5H,2H2,1H3,(H,10,12)

SMILES isoméricas

CCNC(=O)C1=CC(=NC=C1)Br

PubChem CID

46738659

Peso molecular

229.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxamides
• Alternative Parents: 2-halopyridines Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinecarboxamide - 2-halopyridine - Aryl bromide - Aryl halide - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyridinecarboxamides. These are compounds containing a pyridine ring bearing a carboxamide.
• 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: 229.070 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 227.99 Da
• Monoisotopic Mass: 227.99 Da
• Topological Polar Surface Area: 42.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 163.000
• 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