iridium;2-phenyl-4-(trifluoromethyl)pyridine

C12H7F3IrN- — CID 21044139

IUPACiridium;2-phenyl-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccnc(-c2[c-]cccc2)c1.[Ir]
InChIInChI=1S/C12H7F3N.Ir/c13-12(14,15)10-6-7-16-11(8-10)9-4-2-1-3-5-9;/h1-4,6-8H;/q-1;
InChIKeyBTPDAHZBLINAOW-UHFFFAOYSA-N
MW414.41 g/mol
LogP3.57
Rot. Bonds1

About iridium;2-phenyl-4-(trifluoromethyl)pyridine

iridium;2-phenyl-4-(trifluoromethyl)pyridine (PubChem CID 21044139) has the molecular formula C12H7F3IrN- and a molecular weight of 414.41 g/mol. Its IUPAC name is iridium;2-phenyl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Nameiridium;2-phenyl-4-(trifluoromethyl)pyridine
PubChem CID21044139
Molecular FormulaC12H7F3IrN-
Molecular Weight414.41 g/mol
Exact Mass415.02
IUPAC Nameiridium;2-phenyl-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccnc(-c2[c-]cccc2)c1.[Ir]
InChIInChI=1S/C12H7F3N.Ir/c13-12(14,15)10-6-7-16-11(8-10)9-4-2-1-3-5-9;/h1-4,6-8H;/q-1;
InChIKeyBTPDAHZBLINAOW-UHFFFAOYSA-N
XLogP3.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 53.57
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

Myosmine
CID 442649
5-Ethyl-2-methylpyridine
CID 7728
Anabaseine
CID 18985
2,4-Dimethylpyridine
CID 7936
2-(3-Phenylpropyl)Pyridine
CID 459494
2,3-Lutidine
CID 11420
2-Methyl-5-vinylpyridine
CID 8817
Nicotyrine
CID 10249
2-Phenylpyridine
CID 13887
4-Styrylpyridine
CID 641098
2,5-Dimethylpyridine
CID 11526
2-(Phenylmethyl)pyridine
CID 7581

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenyl-4-(trifluoromethyl)pyridine?
The IUPAC name of iridium;2-phenyl-4-(trifluoromethyl)pyridine (CID 21044139) is iridium;2-phenyl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for iridium;2-phenyl-4-(trifluoromethyl)pyridine?
The canonical SMILES for iridium;2-phenyl-4-(trifluoromethyl)pyridine is FC(F)(F)c1ccnc(-c2[c-]cccc2)c1.[Ir].
What is the InChIKey of iridium;2-phenyl-4-(trifluoromethyl)pyridine?
The InChIKey is BTPDAHZBLINAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N.Ir/c13-12(14,15)10-6-7-16-11(8-10)9-4-2-1-3-5-9;/h1-4,6-8H;/q-1;.
What are the key properties of iridium;2-phenyl-4-(trifluoromethyl)pyridine?
iridium;2-phenyl-4-(trifluoromethyl)pyridine has a molecular weight of 414.41 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenyl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 21044139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).