2-(5-bromo-4-fluoro-3H-thiophen-3-id-2-yl)pyridine;iridium

C9H4BrFIrNS- — CID 58720850

IUPAC2-(5-bromo-4-fluoro-3H-thiophen-3-id-2-yl)pyridine;iridium
SMILESFc1[c-]c(-c2ccccn2)sc1Br.[Ir]
InChIInChI=1S/C9H4BrFNS.Ir/c10-9-6(11)5-8(13-9)7-3-1-2-4-12-7;/h1-4H;/q-1;
InChIKeyTZOLCLCKZAKJSC-UHFFFAOYSA-N
MW449.32 g/mol
LogP3.51
Rot. Bonds1

About 2-(5-bromo-4-fluoro-3H-thiophen-3-id-2-yl)pyridine;iridium

2-(5-bromo-4-fluoro-3H-thiophen-3-id-2-yl)pyridine;iridium (PubChem CID 58720850) has the molecular formula C9H4BrFIrNS- and a molecular weight of 449.32 g/mol. Its IUPAC name is 2-(5-bromo-4-fluoro-3H-thiophen-3-id-2-yl)pyridine;iridium.

Molecular Properties

Compound Name2-(5-bromo-4-fluoro-3H-thiophen-3-id-2-yl)pyridine;iridium
PubChem CID58720850
Molecular FormulaC9H4BrFIrNS-
Molecular Weight449.32 g/mol
Exact Mass448.89
IUPAC Name2-(5-bromo-4-fluoro-3H-thiophen-3-id-2-yl)pyridine;iridium
SMILESFc1[c-]c(-c2ccccn2)sc1Br.[Ir]
InChIInChI=1S/C9H4BrFNS.Ir/c10-9-6(11)5-8(13-9)7-3-1-2-4-12-7;/h1-4H;/q-1;
InChIKeyTZOLCLCKZAKJSC-UHFFFAOYSA-N
XLogP3.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-3H-thiophen-3-id-2-yl)pyridine;iridium
CID 58720838
2-[5-[5-(5-pyridin-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyridine
CID 102384658
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
carbanide;iridium;2-(3H-thiophen-3-id-2-yl)pyridine
CID 23526386
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
5-bromo-4-methyl-2-pyridin-2-yl-1,3-thiazole
CID 75532062

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-fluoro-3H-thiophen-3-id-2-yl)pyridine;iridium?
The IUPAC name of 2-(5-bromo-4-fluoro-3H-thiophen-3-id-2-yl)pyridine;iridium (CID 58720850) is 2-(5-bromo-4-fluoro-3H-thiophen-3-id-2-yl)pyridine;iridium.
What is the SMILES notation for 2-(5-bromo-4-fluoro-3H-thiophen-3-id-2-yl)pyridine;iridium?
The canonical SMILES for 2-(5-bromo-4-fluoro-3H-thiophen-3-id-2-yl)pyridine;iridium is Fc1[c-]c(-c2ccccn2)sc1Br.[Ir].
What is the InChIKey of 2-(5-bromo-4-fluoro-3H-thiophen-3-id-2-yl)pyridine;iridium?
The InChIKey is TZOLCLCKZAKJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrFNS.Ir/c10-9-6(11)5-8(13-9)7-3-1-2-4-12-7;/h1-4H;/q-1;.
What are the key properties of 2-(5-bromo-4-fluoro-3H-thiophen-3-id-2-yl)pyridine;iridium?
2-(5-bromo-4-fluoro-3H-thiophen-3-id-2-yl)pyridine;iridium has a molecular weight of 449.32 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-fluoro-3H-thiophen-3-id-2-yl)pyridine;iridium is sourced from PubChem (CID 58720850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).