methyl 1-amino-3-bromo-1H-pyrrole-2-carboxylate - ≥97% , CAS No.1403942-81-3

CAS: 1403942-81-3 Cat. No.: M628946 Molecular Weight: 219.04 PubChem CID: 70979762

GRADE & PURITY ≥97%

Synonyms

methyl 1-amino-3-bromo-1H-pyrrole-2-carboxylate | 1403942-81-3 | methyl1-amino-3-bromo-1H-pyrrole-2-carboxylate | SCHEMBL13731286 | PB40544 | D96668

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

methyl 1-amino-3-bromo-1H-pyrrole-2-carboxylate | 1403942-81-3 | methyl1-amino-3-bromo-1H-pyrrole-2-carboxylate | SCHEMBL13731286 | PB40544 | D96668

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC(=O)C1=C(C=CN1N)Br
• IUPAC Name: methyl 1-amino-3-bromopyrrole-2-carboxylate
• InChIKey: OAKYVORQSFSWAX-UHFFFAOYSA-N
• INCHI: 1S/C6H7BrN2O2/c1-11-6(10)5-4(7)2-3-9(5)8/h2-3H,8H2,1H3
• Isomeric SMILES: COC(=O)C1=C(C=CN1N)Br
• PubChem CID: 70979762
• Molecular Weight: 219.04

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrroles
      • Subclass Pyrrole carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrroles
• Subclass: Pyrrole carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrole carboxylic acids and derivatives
• Alternative Parents: Substituted pyrroles Aryl bromides Vinylogous halides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrrole-2-carboxylic acid or derivatives - Aryl bromide - Aryl halide - Substituted pyrrole - Heteroaromatic compound - Methyl ester - Vinylogous halide - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrrole ring bearing a carboxyl group (or a derivative thereof).
• 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