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

C10H8ClF3IrN3 — CID 20807346

IUPACcarbanide;chloroiridium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCl[Ir+2].FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[CH3-]
InChIInChI=1S/C9H5F3N3.CH3.ClH.Ir/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;;;/h1-5H;1H3;1H;/q2*-1;;+3/p-1
InChIKeyZRFUDYNAUSRPAK-UHFFFAOYSA-M
MW454.86 g/mol
LogP3.26
Rot. Bonds1

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

carbanide;chloroiridium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 20807346) has the molecular formula C10H8ClF3IrN3 and a molecular weight of 454.86 g/mol. Its IUPAC name is carbanide;chloroiridium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Namecarbanide;chloroiridium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID20807346
Molecular FormulaC10H8ClF3IrN3
Molecular Weight454.86 g/mol
Exact Mass455.00
IUPAC Namecarbanide;chloroiridium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCl[Ir+2].FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[CH3-]
InChIInChI=1S/C9H5F3N3.CH3.ClH.Ir/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;;;/h1-5H;1H3;1H;/q2*-1;;+3/p-1
InChIKeyZRFUDYNAUSRPAK-UHFFFAOYSA-M
XLogP3.26
TPSA39.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.86
LogP ≤ 53.26
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

Pyrazolo(1,5-a)pyridine
CID 67507
3-(Pyridine-2-yl)-5-trifluoromethylpyrazole
CID 611600
3-(4-Fluoro-phenyl)-2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 21992496
2-Pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 53391873
2-(5-Methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71813488
2-[2-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]pyridine
CID 56781090
(3aS,6aR)-4-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97459159
2-(1-(3,5-Difluorophenyl)-1hpyrazol-3-yl)pyridine
CID 10149247
2-(1-Pentafluorophenyl-1h-pyrazol-3-yl)-pyridine
CID 10308505
Pyridine, 3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-
CID 11218127
3-Fluoropyrazolo[1,5-a]pyridine
CID 22281743
5-Pyrazol-1-yl-2-trifluoromethyl-pyridine
CID 117753263

Frequently Asked Questions

What is the IUPAC name of carbanide;chloroiridium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of carbanide;chloroiridium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 20807346) is carbanide;chloroiridium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for carbanide;chloroiridium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for carbanide;chloroiridium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is Cl[Ir+2].FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[CH3-].
What is the InChIKey of carbanide;chloroiridium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is ZRFUDYNAUSRPAK-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H5F3N3.CH3.ClH.Ir/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;;;/h1-5H;1H3;1H;/q2*-1;;+3/p-1.
What are the key properties of carbanide;chloroiridium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
carbanide;chloroiridium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 454.86 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;chloroiridium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 20807346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).