chloroiridium(2+);methanone;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C10H6ClF3IrN3O — CID 20807146

IUPACchloroiridium(2+);methanone;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCl[Ir+2].FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[CH-]=O
InChIInChI=1S/C9H5F3N3.CHO.ClH.Ir/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-2;;/h1-5H;1H;1H;/q2*-1;;+3/p-1
InChIKeyCMERHWYISNCJFK-UHFFFAOYSA-M
MW468.84 g/mol
LogP2.53
Rot. Bonds1

About chloroiridium(2+);methanone;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

chloroiridium(2+);methanone;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 20807146) has the molecular formula C10H6ClF3IrN3O and a molecular weight of 468.84 g/mol. Its IUPAC name is chloroiridium(2+);methanone;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Namechloroiridium(2+);methanone;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID20807146
Molecular FormulaC10H6ClF3IrN3O
Molecular Weight468.84 g/mol
Exact Mass468.98
IUPAC Namechloroiridium(2+);methanone;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCl[Ir+2].FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[CH-]=O
InChIInChI=1S/C9H5F3N3.CHO.ClH.Ir/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-2;;/h1-5H;1H;1H;/q2*-1;;+3/p-1
InChIKeyCMERHWYISNCJFK-UHFFFAOYSA-M
XLogP2.53
TPSA56.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.84
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-Trifluoromethylpyrazolo[1,5-a]pyridine
CID 123269739
7,7-Diphenyl-4-(trifluoromethyl)-5,6-diaza-8-azonia-7-boranuidatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene
CID 139181195
1-Octyl-3-(2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazole
CID 85737361
Iridium;2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807142
Iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807144
Iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807145
Iridium;2,2,2-trifluoro-1-(5-pyridin-2-ylpyrazol-1-id-3-yl)ethanone
CID 20807147
2-[2,4-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;iridium
CID 20807176
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807191
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;iridium
CID 20807199
Iridium;2-(2,3,4-trifluorobenzene-6-id-1-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807254
2-[4-Fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;iridium
CID 20807259

Frequently Asked Questions

What is the IUPAC name of chloroiridium(2+);methanone;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of chloroiridium(2+);methanone;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 20807146) is chloroiridium(2+);methanone;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for chloroiridium(2+);methanone;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for chloroiridium(2+);methanone;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is Cl[Ir+2].FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[CH-]=O.
What is the InChIKey of chloroiridium(2+);methanone;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is CMERHWYISNCJFK-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H5F3N3.CHO.ClH.Ir/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-2;;/h1-5H;1H;1H;/q2*-1;;+3/p-1.
What are the key properties of chloroiridium(2+);methanone;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
chloroiridium(2+);methanone;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 468.84 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloroiridium(2+);methanone;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 20807146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).