methyl 7-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazine-5-carboxylate - ≥97% , CAS No.1416438-04-4

CAS: 1416438-04-4 Cat. No.: M629014 Molecular Weight: 290.5 PubChem CID: 71742789

GRADE & PURITY ≥97%

Synonyms

1416438-04-4 | SCHEMBL13869022 | SY322777 | MFCD22690331 | METHYL 7-BROMO-4-CHLOROPYRROLO[2,1-F][1,2,4]TRIAZINE-5-CARBOXYLATE | DTXSID801134000 | Pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid, 7-bromo-4-chloro-, methyl ester | PS-17992 | Methyl7-bromo-4

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1416438-04-4 | SCHEMBL13869022 | SY322777 | MFCD22690331 | METHYL 7-BROMO-4-CHLOROPYRROLO[2, 1-F][1, 2, 4]TRIAZINE-5-CARBOXYLATE | DTXSID801134000 | Pyrrolo[2, 1-f][1, 2, 4]triazine-5-carboxylic acid, 7-bromo-4-chloro-, methyl ester | PS-17992 | Methyl7-bromo-4

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC(=O)C1=C2C(=NC=NN2C(=C1)Br)Cl
• IUPAC Name: methyl 7-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazine-5-carboxylate
• InChIKey: RMHZZBKGOHATDU-UHFFFAOYSA-N
• INCHI: 1S/C8H5BrClN3O2/c1-15-8(14)4-2-5(9)13-6(4)7(10)11-3-12-13/h2-3H,1H3
• Isomeric SMILES: COC(=O)C1=C2C(=NC=NN2C(=C1)Br)Cl
• Alternate CAS: 1416438-04-4
• PubChem CID: 71742789
• Molecular Weight: 290.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolotriazines
      • Subclass Pyrrolo[2,1-f][1,2,4]triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolotriazines
• Subclass: Pyrrolo[2,1-f][1,2,4]triazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolo[2,1-f][1,2,4]triazines
• Alternative Parents: Pyrrole carboxylic acids and derivatives Substituted pyrroles Aryl chlorides Aryl bromides 1,2,4-triazines Vinylogous amides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolo[2,1-f][1,2,4]triazine - Pyrrole-3-carboxylic acid or derivatives - Aryl bromide - Aryl chloride - Aryl halide - 1,2,4-triazine - Triazine - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Methyl ester - Pyrrole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolo[2,1-f][1,2,4]triazines. These are aromatic heterocyclic compounds containing a pyrrolo[2,1-f][1,2,4]triazine ring system. Pyrrolo[2,1-f][1,2,4]triazine consists of a 1,2,4-triazine ring fused to and sharing the N2-atom with a pyrrole ring.
• 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