iridium;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine

C16H11F3IrN3O2- — CID 23568214

IUPACiridium;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine
SMILESFC(F)(F)c1ccc(-c2ccccn2)[n-]1.O=C(O)c1ccccn1.[Ir]
InChIInChI=1S/C10H6F3N2.C6H5NO2.Ir/c11-10(12,13)9-5-4-8(15-9)7-3-1-2-6-14-7;8-6(9)5-3-1-2-4-7-5;/h1-6H;1-4H,(H,8,9);/q-1;;
InChIKeyGRMCWLWFKHLWAX-UHFFFAOYSA-N
MW526.49 g/mol
LogP3.50
Rot. Bonds2

About iridium;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine

iridium;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine (PubChem CID 23568214) has the molecular formula C16H11F3IrN3O2- and a molecular weight of 526.49 g/mol. Its IUPAC name is iridium;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine.

Molecular Properties

Compound Nameiridium;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine
PubChem CID23568214
Molecular FormulaC16H11F3IrN3O2-
Molecular Weight526.49 g/mol
Exact Mass527.04
IUPAC Nameiridium;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine
SMILESFC(F)(F)c1ccc(-c2ccccn2)[n-]1.O=C(O)c1ccccn1.[Ir]
InChIInChI=1S/C10H6F3N2.C6H5NO2.Ir/c11-10(12,13)9-5-4-8(15-9)7-3-1-2-6-14-7;8-6(9)5-3-1-2-4-7-5;/h1-6H;1-4H,(H,8,9);/q-1;;
InChIKeyGRMCWLWFKHLWAX-UHFFFAOYSA-N
XLogP3.50
TPSA77.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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6-(6-Pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylic acid
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CID 23568194
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Frequently Asked Questions

What is the IUPAC name of iridium;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine?
The IUPAC name of iridium;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine (CID 23568214) is iridium;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine.
What is the SMILES notation for iridium;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine?
The canonical SMILES for iridium;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine is FC(F)(F)c1ccc(-c2ccccn2)[n-]1.O=C(O)c1ccccn1.[Ir].
What is the InChIKey of iridium;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine?
The InChIKey is GRMCWLWFKHLWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N2.C6H5NO2.Ir/c11-10(12,13)9-5-4-8(15-9)7-3-1-2-6-14-7;8-6(9)5-3-1-2-4-7-5;/h1-6H;1-4H,(H,8,9);/q-1;;.
What are the key properties of iridium;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine?
iridium;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine has a molecular weight of 526.49 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine is sourced from PubChem (CID 23568214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).