3-Bromo-5-fluoroisonicotinamide - ≥97% , CAS No.1353636-72-2

CAS: 1353636-72-2 Cat. No.: B190673 Summenformel: C₆H₄BrFN₂O Molekulargewicht: 219.01

GRADE & PURITY ≥97%

Synonyms

1353636-72-2 | DTXSID70856253 | A887667 | MFCD20524845 | 3-Bromo-5-fluoroisonicotinamide | Z1322793299 | EN300-318057 | AKOS016014975 | 3-bromo-5-fluoropyridine-4-carboxamide | DS-2931

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

1353636-72-2 | DTXSID70856253 | A887667 | MFCD20524845 | 3-Bromo-5-fluoroisonicotinamide | Z1322793299 | EN300-318057 | AKOS016014975 | 3-bromo-5-fluoropyridine-4-carboxamide | DS-2931

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

C1=C(C(=C(C=N1)Br)C(=O)N)F

IUPAC Name

3-bromo-5-fluoropyridine-4-carboxamide

InChIKey

CBKWWOPTBBELNC-UHFFFAOYSA-N

INCHI

1S/C6H4BrFN2O/c7-3-1-10-2-4(8)5(3)6(9)11/h1-2H,(H2,9,11)

Isomere SMILES

C1=C(C(=C(C=N1)Br)C(=O)N)F

Molekulargewicht

219.01

Reaxy-Rn

39990045

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39990045&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxamides
• Alternative Parents: Polyhalopyridines Aryl fluorides Aryl bromides Vinylogous halides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinecarboxamide - Polyhalopyridine - Aryl bromide - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 219.010 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 217.949 Da
• Monoisotopic Mass: 217.949 Da
• Topological Polar Surface Area: 56.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 167.000
• 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 ≥97% 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 1353636-72-2, the molecular formula is C6H4BrFN2O, and the molecular weight is 219.01 g/mol. InChIKey CBKWWOPTBBELNC-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.