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

C19H10F5IrN5-2 — CID 20807194

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

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine (PubChem CID 20807194) has the molecular formula C19H10F5IrN5-2 and a molecular weight of 595.53 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine.

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine
• PubChem CID: 20807194
• Molecular Formula: C19H10F5IrN5-2
• Molecular Weight: 595.53 g/mol
• Exact Mass: 596.05
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine
• SMILES: FC(F)(F)c1cc(-c2cnccn2)[n-]n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir]
• InChI: InChI=1S/C11H6F2N.C8H4F3N4.Ir/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;9-8(10,11)7-3-5(14-15-7)6-4-12-1-2-13-6;/h1-4,6-7H;1-4H;/q2*-1
• InChIKey: NTCLRYOCZQUPBF-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 65.66 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.53
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine (CID 20807194) is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine.

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine is FC(F)(F)c1cc(-c2cnccn2)[n-]n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine?

The InChIKey is NTCLRYOCZQUPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N.C8H4F3N4.Ir/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;9-8(10,11)7-3-5(14-15-7)6-4-12-1-2-13-6;/h1-4,6-7H;1-4H;/q2*-1;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine?

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine has a molecular weight of 595.53 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine is sourced from PubChem (CID 20807194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).