4,5-Dibromo-1H-pyrrole-2,3-dicarboxylic acid; 3-Nitrile, Me ester
AlkaPlorer ID: AK108787
Synonym: 2,3-Dibromo-4-cyano-5-methoxycarbonylpyrrole
IUPAC Name: methyl 4,5-dibromo-3-cyano-1H-pyrrole-2-carboxylate
Structure
SMILES: COC(=O)C1=C(C#N)C(Br)=C(Br)N1
InChI: InChI=1S/C7H4Br2N2O2/c1-13-7(12)5-3(2-10)4(8)6(9)11-5/h11H,1H3
InChIKey: KBANTYKXUIGMLY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phakellia fusca | Phakellia | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 307.929
TPSA？: 65.88
MolLogP？: 2.1979800000000003
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|