2-[2,4-difluoro-3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;iridium

C18H9F5IrN- — CID 58880821

IUPAC2-[2,4-difluoro-3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;iridium
SMILESFc1c[c-]c(-c2ccccn2)c(F)c1-c1ccc(C(F)(F)F)cc1.[Ir]
InChIInChI=1S/C18H9F5N.Ir/c19-14-9-8-13(15-3-1-2-10-24-15)17(20)16(14)11-4-6-12(7-5-11)18(21,22)23;/h1-7,9-10H;/q-1;
InChIKeyZOFKTVCTDGDPMK-UHFFFAOYSA-N
MW526.48 g/mol
LogP5.51
Rot. Bonds2

About 2-[2,4-difluoro-3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;iridium

2-[2,4-difluoro-3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;iridium (PubChem CID 58880821) has the molecular formula C18H9F5IrN- and a molecular weight of 526.48 g/mol. Its IUPAC name is 2-[2,4-difluoro-3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;iridium.

Molecular Properties

Compound Name2-[2,4-difluoro-3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;iridium
PubChem CID58880821
Molecular FormulaC18H9F5IrN-
Molecular Weight526.48 g/mol
Exact Mass527.03
IUPAC Name2-[2,4-difluoro-3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;iridium
SMILESFc1c[c-]c(-c2ccccn2)c(F)c1-c1ccc(C(F)(F)F)cc1.[Ir]
InChIInChI=1S/C18H9F5N.Ir/c19-14-9-8-13(15-3-1-2-10-24-15)17(20)16(14)11-4-6-12(7-5-11)18(21,22)23;/h1-7,9-10H;/q-1;
InChIKeyZOFKTVCTDGDPMK-UHFFFAOYSA-N
XLogP5.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.48
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-difluoro-3-phenylbenzene-6-id-1-yl)pyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58880819
2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;iridium
CID 58880833
2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine
CID 58672250
(2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;iridium;pyridine-2-carboxylic acid
CID 140743566
bis(2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile);iridium;pyridine-2-carboxylic acid
CID 172916060
2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 15486309
2-(2-fluorobenzene-6-id-1-yl)pyridine;iridium
CID 21044153
2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;iridium
CID 177432309
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;iridium
CID 20807199
2-[4-(trifluoromethyl)phenyl]sulfanylpyridine
CID 91806192
carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum
CID 21044191
2-[6-pyridin-2-yl-2,7-bis[4-(trifluoromethyl)phenyl]pyren-1-yl]pyridine
CID 132519155

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-difluoro-3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;iridium?
The IUPAC name of 2-[2,4-difluoro-3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;iridium (CID 58880821) is 2-[2,4-difluoro-3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;iridium.
What is the SMILES notation for 2-[2,4-difluoro-3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;iridium?
The canonical SMILES for 2-[2,4-difluoro-3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;iridium is Fc1c[c-]c(-c2ccccn2)c(F)c1-c1ccc(C(F)(F)F)cc1.[Ir].
What is the InChIKey of 2-[2,4-difluoro-3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;iridium?
The InChIKey is ZOFKTVCTDGDPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F5N.Ir/c19-14-9-8-13(15-3-1-2-10-24-15)17(20)16(14)11-4-6-12(7-5-11)18(21,22)23;/h1-7,9-10H;/q-1;.
What are the key properties of 2-[2,4-difluoro-3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;iridium?
2-[2,4-difluoro-3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;iridium has a molecular weight of 526.48 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-difluoro-3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;iridium is sourced from PubChem (CID 58880821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).