2-Bromo-N-methylisonicotinamide - ≥98% , CAS No.337536-01-3

CAS: 337536-01-3 Cat. No.: B183818 Summenformel: C₇H₇BrN₂O Molekulargewicht: 215 EG-Nummer: 800-396-2

GRADE & PURITY ≥98%

Synonyms

2-BROMO-N-METHYLISONICOTINAMIDE | SCHEMBL46696 | MB02752 | BS-28025 | VHTGUQFOXREDMP-UHFFFAOYSA-N | AKOS015891792 | FT-0611586 | DTXSID90376241 | 2-bromo-N-methylpyridine-4-carboxamide | MFCD03411643

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2-BROMO-N-METHYLISONICOTINAMIDE | SCHEMBL46696 | MB02752 | BS-28025 | VHTGUQFOXREDMP-UHFFFAOYSA-N | AKOS015891792 | FT-0611586 | DTXSID90376241 | 2-bromo-N-methylpyridine-4-carboxamide | MFCD03411643

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488193285

Kanonisches Lächeln

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

IUPAC Name

2-bromo-N-methylpyridine-4-carboxamide

InChIKey

VHTGUQFOXREDMP-UHFFFAOYSA-N

INCHI

1S/C7H7BrN2O/c1-9-7(11)5-2-3-10-6(8)4-5/h2-4H,1H3,(H,9,11)

Isomere SMILES

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

Molekulargewicht

215

Reaxy-Rn

14124170

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14124170&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: 2-halopyridines Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen 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 - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - 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: 215.050 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 213.974 Da
• Monoisotopic Mass: 213.974 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