bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);dihydrate

C24H16F8Ir2N2O2-2 — CID 20767328

IUPACbis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);dihydrate
SMILESFc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.O.O.[Ir].[Ir]
InChIInChI=1S/2C12H6F4N.2Ir.2H2O/c2*13-10-4-1-8(2-5-10)11-6-3-9(7-17-11)12(14,15)16;;;;/h2*1,3-7H;;;2*1H2/q2*-1;;;;
InChIKeyRZVFXMRVYUDPDP-UHFFFAOYSA-N
MW900.82 g/mol
LogP5.76
Rot. Bonds2

About bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);dihydrate

bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);dihydrate (PubChem CID 20767328) has the molecular formula C24H16F8Ir2N2O2-2 and a molecular weight of 900.82 g/mol. Its IUPAC name is bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);dihydrate.

Molecular Properties

Compound Namebis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);dihydrate
PubChem CID20767328
Molecular FormulaC24H16F8Ir2N2O2-2
Molecular Weight900.82 g/mol
Exact Mass902.04
IUPAC Namebis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);dihydrate
SMILESFc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.O.O.[Ir].[Ir]
InChIInChI=1S/2C12H6F4N.2Ir.2H2O/c2*13-10-4-1-8(2-5-10)11-6-3-9(7-17-11)12(14,15)16;;;;/h2*1,3-7H;;;2*1H2/q2*-1;;;;
InChIKeyRZVFXMRVYUDPDP-UHFFFAOYSA-N
XLogP5.76
TPSA88.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.82
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4'-Bipyridine
CID 68488
2-(2-(3-Pyridinyl)ethyl)pyridine
CID 248743
2-Phenyl-5-(pyridin-4-ylmethyl)pyridine
CID 57330009
2-Phenyl-5-(pyridin-3-ylmethyl)pyridine
CID 57330010
5-((5-Methylpyridin-3-yl)methyl)-2-phenylpyridine
CID 57330086
5,5'-Bis(trifluoromethyl)-2,2'-bipyridyl
CID 589903
2-Phenyl-5-[[5-(trifluoromethyl)pyridin-3-yl]methyl]pyridine
CID 73347616
3-Fluoro-5-[(6-phenyl-3-pyridinyl)methyl]pyridine
CID 73356735
2-(2-Fluorophenyl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137633417
2-[1-(4-pyridin-4-ylbutyl)-3,6-dihydro-2H-pyridin-4-yl]pyridine
CID 15166843
[2-Pyridin-3-yl-6-(trifluoromethyl)pyridin-4-yl]methanamine
CID 122516916
Tris[2-(2,4-difluorophenyl)pyridine]iridium(III)
CID 11491171

Frequently Asked Questions

What is the IUPAC name of bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);dihydrate?
The IUPAC name of bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);dihydrate (CID 20767328) is bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);dihydrate.
What is the SMILES notation for bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);dihydrate?
The canonical SMILES for bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);dihydrate is Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.O.O.[Ir].[Ir].
What is the InChIKey of bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);dihydrate?
The InChIKey is RZVFXMRVYUDPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H6F4N.2Ir.2H2O/c2*13-10-4-1-8(2-5-10)11-6-3-9(7-17-11)12(14,15)16;;;;/h2*1,3-7H;;;2*1H2/q2*-1;;;;.
What are the key properties of bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);dihydrate?
bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);dihydrate has a molecular weight of 900.82 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);dihydrate is sourced from PubChem (CID 20767328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).