iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C17H11F6IrN5O-2 — CID 20807144

About iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 20807144) has the molecular formula C17H11F6IrN5O-2 and a molecular weight of 607.51 g/mol. Its IUPAC name is iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

• Compound Name: iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 20807144
• Molecular Formula: C17H11F6IrN5O-2
• Molecular Weight: 607.51 g/mol
• Exact Mass: 608.05
• IUPAC Name: iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• SMILES: FC(F)(F)c1cc(-c2ccccn2)[n-]n1.O=C([N-]Cc1ccccn1)C(F)(F)F.[Ir]
• InChI: InChI=1S/C9H5F3N3.C8H7F3N2O.Ir/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;9-8(10,11)7(14)13-5-6-3-1-2-4-12-6;/h1-5H;1-4H,5H2,(H,13,14);/q-1;;/p-1
• InChIKey: QBRYNAVEVIGOSN-UHFFFAOYSA-M
• XLogP: 4.16
• TPSA: 83.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.51
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The IUPAC name of iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 20807144) is iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

What is the SMILES notation for iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The canonical SMILES for iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is FC(F)(F)c1cc(-c2ccccn2)[n-]n1.O=C([N-]Cc1ccccn1)C(F)(F)F.[Ir].

What is the InChIKey of iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The InChIKey is QBRYNAVEVIGOSN-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H5F3N3.C8H7F3N2O.Ir/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;9-8(10,11)7(14)13-5-6-3-1-2-4-12-6;/h1-5H;1-4H,5H2,(H,13,14);/q-1;;/p-1.

What are the key properties of iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 607.51 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 20807144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).