iridium;pyridine-2-carboxylic acid;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

C18H12F3IrN2O2- — CID 23568192

IUPACiridium;pyridine-2-carboxylic acid;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESFC(F)(F)c1c[c-]c(-c2ccccn2)cc1.O=C(O)c1ccccn1.[Ir]
InChIInChI=1S/C12H7F3N.C6H5NO2.Ir/c13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;8-6(9)5-3-1-2-4-7-5;/h1-4,6-8H;1-4H,(H,8,9);/q-1;;
InChIKeyDMVLWFUEGHESJY-UHFFFAOYSA-N
MW537.52 g/mol
LogP4.34
Rot. Bonds2

About iridium;pyridine-2-carboxylic acid;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

iridium;pyridine-2-carboxylic acid;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 23568192) has the molecular formula C18H12F3IrN2O2- and a molecular weight of 537.52 g/mol. Its IUPAC name is iridium;pyridine-2-carboxylic acid;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Nameiridium;pyridine-2-carboxylic acid;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
PubChem CID23568192
Molecular FormulaC18H12F3IrN2O2-
Molecular Weight537.52 g/mol
Exact Mass538.05
IUPAC Nameiridium;pyridine-2-carboxylic acid;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESFC(F)(F)c1c[c-]c(-c2ccccn2)cc1.O=C(O)c1ccccn1.[Ir]
InChIInChI=1S/C12H7F3N.C6H5NO2.Ir/c13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;8-6(9)5-3-1-2-4-7-5;/h1-4,6-8H;1-4H,(H,8,9);/q-1;;
InChIKeyDMVLWFUEGHESJY-UHFFFAOYSA-N
XLogP4.34
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Chromium(III) picolinate
CID 151932
Zinc Picolinate
CID 9904746
Chromium tripicolinate
CID 56840998
Chromium picolinate monohydrate
CID 22833491
4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid
CID 2050136
6-[[2-Phenyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 60151152
5-(trifluoromethyl)pyridine-2-carboxylic Acid
CID 10910349
4-(Trifluoromethyl)pyridine-2-carboxylic acid
CID 12025164
3-(Trifluoromethyl)pyridine-2-carboxylic acid
CID 13233844
5-fluoropyridine-2-carboxylic Acid
CID 2762876
Bis(2-(4,6-difluorophenyl)pyridinato-C2,N)(picolinato)iridium(III)
CID 71306701
[3,4'-Bipyridine]-2'-carboxylic acid
CID 46316068

Frequently Asked Questions

What is the IUPAC name of iridium;pyridine-2-carboxylic acid;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The IUPAC name of iridium;pyridine-2-carboxylic acid;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (CID 23568192) is iridium;pyridine-2-carboxylic acid;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.
What is the SMILES notation for iridium;pyridine-2-carboxylic acid;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The canonical SMILES for iridium;pyridine-2-carboxylic acid;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.O=C(O)c1ccccn1.[Ir].
What is the InChIKey of iridium;pyridine-2-carboxylic acid;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The InChIKey is DMVLWFUEGHESJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N.C6H5NO2.Ir/c13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;8-6(9)5-3-1-2-4-7-5;/h1-4,6-8H;1-4H,(H,8,9);/q-1;;.
What are the key properties of iridium;pyridine-2-carboxylic acid;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
iridium;pyridine-2-carboxylic acid;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 537.52 g/mol, XLogP of 4.34, 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-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 23568192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).