iridium;2-(3H-thiophen-3-id-2-yl)-4-(trifluoromethyl)pyridine

C10H5F3IrNS- — CID 23526403

IUPACiridium;2-(3H-thiophen-3-id-2-yl)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccnc(-c2[c-]ccs2)c1.[Ir]
InChIInChI=1S/C10H5F3NS.Ir/c11-10(12,13)7-3-4-14-8(6-7)9-2-1-5-15-9;/h1,3-6H;/q-1;
InChIKeyHLYBZEPFKHGRJY-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.63
Rot. Bonds1

About iridium;2-(3H-thiophen-3-id-2-yl)-4-(trifluoromethyl)pyridine

iridium;2-(3H-thiophen-3-id-2-yl)-4-(trifluoromethyl)pyridine (PubChem CID 23526403) has the molecular formula C10H5F3IrNS- and a molecular weight of 420.44 g/mol. Its IUPAC name is iridium;2-(3H-thiophen-3-id-2-yl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Nameiridium;2-(3H-thiophen-3-id-2-yl)-4-(trifluoromethyl)pyridine
PubChem CID23526403
Molecular FormulaC10H5F3IrNS-
Molecular Weight420.44 g/mol
Exact Mass420.97
IUPAC Nameiridium;2-(3H-thiophen-3-id-2-yl)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccnc(-c2[c-]ccs2)c1.[Ir]
InChIInChI=1S/C10H5F3NS.Ir/c11-10(12,13)7-3-4-14-8(6-7)9-2-1-5-15-9;/h1,3-6H;/q-1;
InChIKeyHLYBZEPFKHGRJY-UHFFFAOYSA-N
XLogP3.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.63
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

Sulfoxaflor
CID 16723172
4-(Aminomethyl)-2-(trifluoromethyl)pyridine
CID 55265285
Methyl sulfoxaflor
CID 76313006
4-(2-(Benzylthio)ethyl)pyridine
CID 210230
5H-Cyclopenta[b]pyridine
CID 575987
[Methyl-oxo-[2-[6-(trifluoromethyl)pyridin-3-yl]propan-2-yl]-lambda6-sulfanylidene]cyanamide
CID 76327436
4-Methyl-2-(2,2,2-trifluoro-1,1-dimethylethyl)pyridine
CID 57748126
2,3-Bis(trifluoromethyl)pyridine
CID 589865
2,5-Bis(trifluoromethyl)pyridine
CID 14111637
[[(1S)-1-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-methyl-oxo-lambda6-sulfanylidene]cyanamide
CID 76313005
[1-[6-(1,1-Difluorobut-3-enyl)-3-pyridinyl]ethyl-methyl-oxo-lambda6-sulfanylidene]cyanamide
CID 76320230
[Ethyl-oxo-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]-lambda6-sulfanylidene]cyanamide
CID 76334702

Frequently Asked Questions

What is the IUPAC name of iridium;2-(3H-thiophen-3-id-2-yl)-4-(trifluoromethyl)pyridine?
The IUPAC name of iridium;2-(3H-thiophen-3-id-2-yl)-4-(trifluoromethyl)pyridine (CID 23526403) is iridium;2-(3H-thiophen-3-id-2-yl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for iridium;2-(3H-thiophen-3-id-2-yl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for iridium;2-(3H-thiophen-3-id-2-yl)-4-(trifluoromethyl)pyridine is FC(F)(F)c1ccnc(-c2[c-]ccs2)c1.[Ir].
What is the InChIKey of iridium;2-(3H-thiophen-3-id-2-yl)-4-(trifluoromethyl)pyridine?
The InChIKey is HLYBZEPFKHGRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3NS.Ir/c11-10(12,13)7-3-4-14-8(6-7)9-2-1-5-15-9;/h1,3-6H;/q-1;.
What are the key properties of iridium;2-(3H-thiophen-3-id-2-yl)-4-(trifluoromethyl)pyridine?
iridium;2-(3H-thiophen-3-id-2-yl)-4-(trifluoromethyl)pyridine has a molecular weight of 420.44 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(3H-thiophen-3-id-2-yl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 23526403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).