2,6-dipyridin-2-ylpyridine;trichloroiron
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This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
InChI descriptor[cheminf_000113]: InChI=1S/C15H11N3.3ClH.Fe/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;;;;/h1-11H;3*1H;/q;;;;+3/p-3, and canonical SMILES descriptor[cheminf_000007]: c1ccc(nc1)c1cccc(n1)c1ccccn1.Cl[Fe](Cl)Cl, and by the IUPAC name[cheminf_000107]: 2,6-dipyridin-2-ylpyridine;trichloroiron.
The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-55137
The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]:
Boiling point descriptor[CHEMINF_000257]:
Refractive index descriptor[CHEMINF_000253]:
The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
CHMO:0000630 | infrared absorption spectroscopy (IR)
CHMO:0001075 | elemental analysis (EA)
CHMO:0000482 | electrospray ionisation mass spectrometry (ESMS)
CHMO:0000025 | cyclic voltammetry (CV)
CHMO:0000025 | cyclic voltammetry (CV)
CHMO:0000025 | cyclic voltammetry (CV)
CHMO:0000025 | cyclic voltammetry (CV)
CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS)
The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID:
Used ontologies:
CHEBI - Chemical Entities of Biological Interest
CHEMINF - chemical information ontology (information entities about chemical entities)
CHMO - Chemical Methods Ontology
OBI - Ontology for Biomedical Investigations
提供机构:
chemotion-repository
创建时间:
2025-11-01



