bis(2-(2,4-difluorophenyl)pyridine);iridium(3+);2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine

C30H19F7IrN6+3 — CID 56943329

IUPACbis(2-(2,4-difluorophenyl)pyridine);iridium(3+);2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
SMILESFC(F)(F)c1nc(-c2ccccn2)n[nH]1.Fc1ccc(-c2ccccn2)c(F)c1.Fc1ccc(-c2ccccn2)c(F)c1.[Ir+3]
InChIInChI=1S/2C11H7F2N.C8H5F3N4.Ir/c2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;/h2*1-7H;1-4H,(H,13,14,15);/q;;;+3
InChIKeyLGACYKHMTNJJEP-UHFFFAOYSA-N
MW788.73 g/mol
LogP7.94
Rot. Bonds3

About bis(2-(2,4-difluorophenyl)pyridine);iridium(3+);2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine

bis(2-(2,4-difluorophenyl)pyridine);iridium(3+);2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine (PubChem CID 56943329) has the molecular formula C30H19F7IrN6+3 and a molecular weight of 788.73 g/mol. Its IUPAC name is bis(2-(2,4-difluorophenyl)pyridine);iridium(3+);2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Namebis(2-(2,4-difluorophenyl)pyridine);iridium(3+);2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
PubChem CID56943329
Molecular FormulaC30H19F7IrN6+3
Molecular Weight788.73 g/mol
Exact Mass789.12
IUPAC Namebis(2-(2,4-difluorophenyl)pyridine);iridium(3+);2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
SMILESFC(F)(F)c1nc(-c2ccccn2)n[nH]1.Fc1ccc(-c2ccccn2)c(F)c1.Fc1ccc(-c2ccccn2)c(F)c1.[Ir+3]
InChIInChI=1S/2C11H7F2N.C8H5F3N4.Ir/c2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;/h2*1-7H;1-4H,(H,13,14,15);/q;;;+3
InChIKeyLGACYKHMTNJJEP-UHFFFAOYSA-N
XLogP7.94
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.73
LogP ≤ 57.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze bis(2-(2,4-difluorophenyl)pyridine);iridium(3+);2-[5-(trifluoromethyl)-1H-1,2,4-triazol-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

2-(3-(Pyridin-4-yl)-1H-1,2,4-triazol-5-yl)pyridine
CID 2803172
3,5-bis(2-methylpyridin-4-yl)-1H-1,2,4-triazole
CID 20309751
N-(2,6-difluorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57400854
2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 2501092
2-(3,3-difluoropyrrolidin-1-yl)-6-phenyl-7-(4-((4-(5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)pyrido[2,3-d]pyrimidine
CID 11643074
1-(4,5-bis(3,4,5-trifluorophenyl)-1H-imidazol-2-yl)-4-(3-(trifluoromethyl)pyridin-2-yl)piperazine
CID 11649748
4,6-Bis(4-fluorophenyl)-5-(4-pyridyl)-1H-pyrazolo[3,4-b]pyridine
CID 11961374
9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-ol
CID 15979149
9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridine-3-thiol
CID 15979151
2-methyl-4-(3-(pyridin-4-yl)-1H-1,2,4-triazol-5-yl)pyridine
CID 20309749
N-(2-fluorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 44222965
3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-1,6-naphthyridine
CID 44449908

Frequently Asked Questions

What is the IUPAC name of bis(2-(2,4-difluorophenyl)pyridine);iridium(3+);2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of bis(2-(2,4-difluorophenyl)pyridine);iridium(3+);2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine (CID 56943329) is bis(2-(2,4-difluorophenyl)pyridine);iridium(3+);2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for bis(2-(2,4-difluorophenyl)pyridine);iridium(3+);2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for bis(2-(2,4-difluorophenyl)pyridine);iridium(3+);2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine is FC(F)(F)c1nc(-c2ccccn2)n[nH]1.Fc1ccc(-c2ccccn2)c(F)c1.Fc1ccc(-c2ccccn2)c(F)c1.[Ir+3].
What is the InChIKey of bis(2-(2,4-difluorophenyl)pyridine);iridium(3+);2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The InChIKey is LGACYKHMTNJJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H7F2N.C8H5F3N4.Ir/c2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;/h2*1-7H;1-4H,(H,13,14,15);/q;;;+3.
What are the key properties of bis(2-(2,4-difluorophenyl)pyridine);iridium(3+);2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
bis(2-(2,4-difluorophenyl)pyridine);iridium(3+);2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine has a molecular weight of 788.73 g/mol, XLogP of 7.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(2,4-difluorophenyl)pyridine);iridium(3+);2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 56943329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).