2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

C20H12F5IrN4- — CID 59729610

IUPAC2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESFC(F)(F)c1cc(-c2ccccn2)n[nH]1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir]
InChIInChI=1S/C11H6F2N.C9H6F3N3.Ir/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h1-4,6-7H;1-5H,(H,14,15);/q-1;;
InChIKeyOZABHHVIPUGUSK-UHFFFAOYSA-N
MW595.55 g/mol
LogP5.31
Rot. Bonds2

About 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 59729610) has the molecular formula C20H12F5IrN4- and a molecular weight of 595.55 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
PubChem CID59729610
Molecular FormulaC20H12F5IrN4-
Molecular Weight595.55 g/mol
Exact Mass596.06
IUPAC Name2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESFC(F)(F)c1cc(-c2ccccn2)n[nH]1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir]
InChIInChI=1S/C11H6F2N.C9H6F3N3.Ir/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h1-4,6-7H;1-5H,(H,14,15);/q-1;;
InChIKeyOZABHHVIPUGUSK-UHFFFAOYSA-N
XLogP5.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.55
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137039626
3,5-Di(2-pyridyl)pyrazole
CID 613762
(3S,5R)-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-1-(pyrazin-2-ylmethyl)piperidin-3-amine
CID 67977930
3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137110609
3-[4-(5-Pyridin-3-yl-1,2-dihydropyrazol-3-ylidene)pyrazol-3-yl]pyridine
CID 340684
2-[5-(5-pyridin-2-yl-1H-pyrazol-3-yl)-2H-pyrazol-3-yl]pyridine
CID 340685
5-(2-Pyridin-2-ylethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 56787410
6-(Pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 97404939
6-[3-(Trifluoromethyl)-1H-pyrazole-5-yl]-2,2'-bipyridine
CID 57937091
2-pyridin-2-yl-6-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyridine
CID 91316307
Platinum(2+);pyrazol-1-ide;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131682
3,5-Bis(trifluoromethyl)pyrazol-1-ide;platinum(2+);2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131685

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 59729610) is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is FC(F)(F)c1cc(-c2ccccn2)n[nH]1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].
What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is OZABHHVIPUGUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N.C9H6F3N3.Ir/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h1-4,6-7H;1-5H,(H,14,15);/q-1;;.
What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 595.55 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 59729610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).