iridium;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C15H10F3IrN4O2- — CID 23568188

IUPACiridium;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESFC(F)(F)c1cc(-c2ccccn2)[n-]n1.O=C(O)c1ccccn1.[Ir]
InChIInChI=1S/C9H5F3N3.C6H5NO2.Ir/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;8-6(9)5-3-1-2-4-7-5;/h1-5H;1-4H,(H,8,9);/q-1;;
InChIKeyQWXILGYYZCTSAR-UHFFFAOYSA-N
MW527.48 g/mol
LogP2.90
Rot. Bonds2

About iridium;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

iridium;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 23568188) has the molecular formula C15H10F3IrN4O2- and a molecular weight of 527.48 g/mol. Its IUPAC name is iridium;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Nameiridium;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID23568188
Molecular FormulaC15H10F3IrN4O2-
Molecular Weight527.48 g/mol
Exact Mass528.04
IUPAC Nameiridium;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESFC(F)(F)c1cc(-c2ccccn2)[n-]n1.O=C(O)c1ccccn1.[Ir]
InChIInChI=1S/C9H5F3N3.C6H5NO2.Ir/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;8-6(9)5-3-1-2-4-7-5;/h1-5H;1-4H,(H,8,9);/q-1;;
InChIKeyQWXILGYYZCTSAR-UHFFFAOYSA-N
XLogP2.90
TPSA90.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[2-Phenyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 60151152
Iridium;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 20807262
Iridium;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide
CID 23568186
Iridium;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine
CID 23568214
2-[3,4-Bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;iridium;pyridine-2-carboxylic acid
CID 23568218
Iridium;pyridine-2-carboxylic acid;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-4,5,6,7-tetrahydrobenzotriazole
CID 57609785
5-(3-Pyridin-3-yl-5-trifluoromethyl-pyrazol-1-yl)-pyridine-2-carboxylic acid
CID 57861798
2-[2,4-Difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;iridium;pyridine-2-carboxylic acid
CID 57935308
iridium;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine
CID 58814028
6-[2-[6-[3-(Trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;ZINC
CID 58836138
2-(3,3,4,4,5,5-Hexafluorocyclopenten-1-yl)pyridine;iridium;pyridine-2-carboxylic acid
CID 59005673
Iridium;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;pyridine-2-carboxylic acid
CID 59005871

Frequently Asked Questions

What is the IUPAC name of iridium;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of iridium;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 23568188) is iridium;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for iridium;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for iridium;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is FC(F)(F)c1cc(-c2ccccn2)[n-]n1.O=C(O)c1ccccn1.[Ir].
What is the InChIKey of iridium;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is QWXILGYYZCTSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N3.C6H5NO2.Ir/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;8-6(9)5-3-1-2-4-7-5;/h1-5H;1-4H,(H,8,9);/q-1;;.
What are the key properties of iridium;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
iridium;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 527.48 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 23568188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).