carbanide;4-fluoro-2-phenyl-5-(trideuteriomethyl)pyridine;iridium

C13H12FIrN-2 — CID 168794119

IUPACcarbanide;4-fluoro-2-phenyl-5-(trideuteriomethyl)pyridine;iridium
SMILES[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1F.[CH3-].[Ir]
InChIInChI=1S/C12H9FN.CH3.Ir/c1-9-8-14-12(7-11(9)13)10-5-3-2-4-6-10;;/h2-5,7-8H,1H3;1H3;/q2*-1;/i1D3;;
InChIKeyUFSWJGODTGKCSV-GXXYEPOPSA-N
MW396.48 g/mol
LogP3.44
Rot. Bonds2

About carbanide;4-fluoro-2-phenyl-5-(trideuteriomethyl)pyridine;iridium

carbanide;4-fluoro-2-phenyl-5-(trideuteriomethyl)pyridine;iridium (PubChem CID 168794119) has the molecular formula C13H12FIrN-2 and a molecular weight of 396.48 g/mol. Its IUPAC name is carbanide;4-fluoro-2-phenyl-5-(trideuteriomethyl)pyridine;iridium.

Molecular Properties

Compound Namecarbanide;4-fluoro-2-phenyl-5-(trideuteriomethyl)pyridine;iridium
PubChem CID168794119
Molecular FormulaC13H12FIrN-2
Molecular Weight396.48 g/mol
Exact Mass397.08
IUPAC Namecarbanide;4-fluoro-2-phenyl-5-(trideuteriomethyl)pyridine;iridium
SMILES[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1F.[CH3-].[Ir]
InChIInChI=1S/C12H9FN.CH3.Ir/c1-9-8-14-12(7-11(9)13)10-5-3-2-4-6-10;;/h2-5,7-8H,1H3;1H3;/q2*-1;/i1D3;;
InChIKeyUFSWJGODTGKCSV-GXXYEPOPSA-N
XLogP3.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

iridium;5-methyl-4-phenyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 153412535
iridium;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine
CID 153412555
4-(3,5-ditert-butylphenyl)-2-phenyl-5-(trideuteriomethyl)pyridine;iridium
CID 170655069
4-[dideuterio(phenyl)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;iridium;4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 162707508
4-(3,5-ditert-butylphenyl)-2-phenyl-5-(trideuteriomethyl)pyridine;iridium;2-phenylpyridine
CID 169017950
iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166574327
2-(2,5-difluorobenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;iridium;4-phenyl-2-phenylpyridine
CID 168823077
iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine
CID 58435106
iridium;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine
CID 153412527
iridium;4-(2-phenylpropan-2-yl)-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-phenylpyridine
CID 162708178
iridium;5,5,8,8-tetramethyl-3-phenyl-6,7-dihydroisoquinoline
CID 140790056
iridium;5-methyl-4-phenyl-2-(2,3,5-trifluorobenzene-6-id-1-yl)pyridine;2-phenylpyridine
CID 168821808

Frequently Asked Questions

What is the IUPAC name of carbanide;4-fluoro-2-phenyl-5-(trideuteriomethyl)pyridine;iridium?
The IUPAC name of carbanide;4-fluoro-2-phenyl-5-(trideuteriomethyl)pyridine;iridium (CID 168794119) is carbanide;4-fluoro-2-phenyl-5-(trideuteriomethyl)pyridine;iridium.
What is the SMILES notation for carbanide;4-fluoro-2-phenyl-5-(trideuteriomethyl)pyridine;iridium?
The canonical SMILES for carbanide;4-fluoro-2-phenyl-5-(trideuteriomethyl)pyridine;iridium is [2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1F.[CH3-].[Ir].
What is the InChIKey of carbanide;4-fluoro-2-phenyl-5-(trideuteriomethyl)pyridine;iridium?
The InChIKey is UFSWJGODTGKCSV-GXXYEPOPSA-N. The full InChI is InChI=1S/C12H9FN.CH3.Ir/c1-9-8-14-12(7-11(9)13)10-5-3-2-4-6-10;;/h2-5,7-8H,1H3;1H3;/q2*-1;/i1D3;;.
What are the key properties of carbanide;4-fluoro-2-phenyl-5-(trideuteriomethyl)pyridine;iridium?
carbanide;4-fluoro-2-phenyl-5-(trideuteriomethyl)pyridine;iridium has a molecular weight of 396.48 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4-fluoro-2-phenyl-5-(trideuteriomethyl)pyridine;iridium is sourced from PubChem (CID 168794119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).