iridium;2,2,2-trifluoro-1-(5-pyridin-2-ylpyrazol-1-id-3-yl)ethanone

C10H5F3IrN3O- — CID 20807147

IUPACiridium;2,2,2-trifluoro-1-(5-pyridin-2-ylpyrazol-1-id-3-yl)ethanone
SMILESO=C(c1cc(-c2ccccn2)[n-]n1)C(F)(F)F.[Ir]
InChIInChI=1S/C10H6F3N3O.Ir/c11-10(12,13)9(17)8-5-7(15-16-8)6-3-1-2-4-14-6;/h1-5H,(H,14,15,16,17);/p-1
InChIKeyLFNAIGDQFUARAB-UHFFFAOYSA-M
MW432.38 g/mol
LogP1.84
Rot. Bonds2

About iridium;2,2,2-trifluoro-1-(5-pyridin-2-ylpyrazol-1-id-3-yl)ethanone

iridium;2,2,2-trifluoro-1-(5-pyridin-2-ylpyrazol-1-id-3-yl)ethanone (PubChem CID 20807147) has the molecular formula C10H5F3IrN3O- and a molecular weight of 432.38 g/mol. Its IUPAC name is iridium;2,2,2-trifluoro-1-(5-pyridin-2-ylpyrazol-1-id-3-yl)ethanone.

Molecular Properties

Compound Nameiridium;2,2,2-trifluoro-1-(5-pyridin-2-ylpyrazol-1-id-3-yl)ethanone
PubChem CID20807147
Molecular FormulaC10H5F3IrN3O-
Molecular Weight432.38 g/mol
Exact Mass433.00
IUPAC Nameiridium;2,2,2-trifluoro-1-(5-pyridin-2-ylpyrazol-1-id-3-yl)ethanone
SMILESO=C(c1cc(-c2ccccn2)[n-]n1)C(F)(F)F.[Ir]
InChIInChI=1S/C10H6F3N3O.Ir/c11-10(12,13)9(17)8-5-7(15-16-8)6-3-1-2-4-14-6;/h1-5H,(H,14,15,16,17);/p-1
InChIKeyLFNAIGDQFUARAB-UHFFFAOYSA-M
XLogP1.84
TPSA56.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.38
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Pyridin-2-yl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanone
CID 73350647
Pyrazolo[1,5-a]pyridine-2-carbaldehyde
CID 40425205
Pyrazolo[1,5-a]pyridin-2-yl(pyrrolidin-1-yl)methanone
CID 5307653
2,3-Dihydropyrrolo[3,2-b]pyridin-1-yl-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone
CID 138021655
Iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807145
Chloroiridium(2+);methanone;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807146
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium;2,2,2-trifluoro-1-(5-pyridin-2-ylpyrazol-1-id-3-yl)ethanone
CID 20807205
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium;2,2,2-trifluoro-1-[5-pyridin-2-yl-3-(2,2,2-trifluoroacetyl)pyrazol-1-id-4-yl]ethanone
CID 20807206
(Z)-4-hydroxypent-3-en-2-one;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807312
2,2-difluoro-1-[5-(1H-pyrazol-1-yl)pyridin-2-yl]ethanone
CID 59161926
Iridium;1-pyrrol-1-id-2-ylethanone;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
CID 59431388
CID 59656785
CID 59656785

Frequently Asked Questions

What is the IUPAC name of iridium;2,2,2-trifluoro-1-(5-pyridin-2-ylpyrazol-1-id-3-yl)ethanone?
The IUPAC name of iridium;2,2,2-trifluoro-1-(5-pyridin-2-ylpyrazol-1-id-3-yl)ethanone (CID 20807147) is iridium;2,2,2-trifluoro-1-(5-pyridin-2-ylpyrazol-1-id-3-yl)ethanone.
What is the SMILES notation for iridium;2,2,2-trifluoro-1-(5-pyridin-2-ylpyrazol-1-id-3-yl)ethanone?
The canonical SMILES for iridium;2,2,2-trifluoro-1-(5-pyridin-2-ylpyrazol-1-id-3-yl)ethanone is O=C(c1cc(-c2ccccn2)[n-]n1)C(F)(F)F.[Ir].
What is the InChIKey of iridium;2,2,2-trifluoro-1-(5-pyridin-2-ylpyrazol-1-id-3-yl)ethanone?
The InChIKey is LFNAIGDQFUARAB-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H6F3N3O.Ir/c11-10(12,13)9(17)8-5-7(15-16-8)6-3-1-2-4-14-6;/h1-5H,(H,14,15,16,17);/p-1.
What are the key properties of iridium;2,2,2-trifluoro-1-(5-pyridin-2-ylpyrazol-1-id-3-yl)ethanone?
iridium;2,2,2-trifluoro-1-(5-pyridin-2-ylpyrazol-1-id-3-yl)ethanone has a molecular weight of 432.38 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2,2,2-trifluoro-1-(5-pyridin-2-ylpyrazol-1-id-3-yl)ethanone is sourced from PubChem (CID 20807147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).