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

C12H7F3IrN- — CID 21044152

IUPACiridium;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESFC(F)(F)c1ccc[c-]c1-c1ccccn1.[Ir]
InChIInChI=1S/C12H7F3N.Ir/c13-12(14,15)10-6-2-1-5-9(10)11-7-3-4-8-16-11;/h1-4,6-8H;/q-1;
InChIKeyZFBCTQNCNRUIMD-UHFFFAOYSA-N
MW414.41 g/mol
LogP3.57
Rot. Bonds1

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

iridium;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 21044152) has the molecular formula C12H7F3IrN- and a molecular weight of 414.41 g/mol. Its IUPAC name is iridium;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Nameiridium;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine
PubChem CID21044152
Molecular FormulaC12H7F3IrN-
Molecular Weight414.41 g/mol
Exact Mass415.02
IUPAC Nameiridium;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESFC(F)(F)c1ccc[c-]c1-c1ccccn1.[Ir]
InChIInChI=1S/C12H7F3N.Ir/c13-12(14,15)10-6-2-1-5-9(10)11-7-3-4-8-16-11;/h1-4,6-8H;/q-1;
InChIKeyZFBCTQNCNRUIMD-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

2,2'-Bipyridine
CID 1474
2-Methylpyridine
CID 7975
Myosmine
CID 442649
2-Vinylpyridine
CID 7521
5-Ethyl-2-methylpyridine
CID 7728
Anabaseine
CID 18985
2-Propylpyridine
CID 69320
2-(3-Phenylpropyl)Pyridine
CID 459494
2-Pentylpyridine
CID 16800
2-Ethylpyridine
CID 7523
2-Isobutylpyridine
CID 61385
2,3-Lutidine
CID 11420

Frequently Asked Questions

What is the IUPAC name of iridium;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The IUPAC name of iridium;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine (CID 21044152) is iridium;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine.
What is the SMILES notation for iridium;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The canonical SMILES for iridium;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine is FC(F)(F)c1ccc[c-]c1-c1ccccn1.[Ir].
What is the InChIKey of iridium;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The InChIKey is ZFBCTQNCNRUIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N.Ir/c13-12(14,15)10-6-2-1-5-9(10)11-7-3-4-8-16-11;/h1-4,6-8H;/q-1;.
What are the key properties of iridium;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
iridium;2-[2-(trifluoromethyl)benzene-6-id-1-yl]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-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 21044152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).