iridium;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine

C9H5F3IrN3- — CID 20807270

IUPACiridium;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine
SMILESFC(F)(F)c1nc[n-]c1-c1ccccn1.[Ir]
InChIInChI=1S/C9H5F3N3.Ir/c10-9(11,12)8-7(14-5-15-8)6-3-1-2-4-13-6;/h1-5H;/q-1;
InChIKeyVHIIFKSAIBJEGK-UHFFFAOYSA-N
MW404.37 g/mol
LogP2.12
Rot. Bonds1

About iridium;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine

iridium;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine (PubChem CID 20807270) has the molecular formula C9H5F3IrN3- and a molecular weight of 404.37 g/mol. Its IUPAC name is iridium;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine.

Molecular Properties

Compound Nameiridium;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine
PubChem CID20807270
Molecular FormulaC9H5F3IrN3-
Molecular Weight404.37 g/mol
Exact Mass405.01
IUPAC Nameiridium;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine
SMILESFC(F)(F)c1nc[n-]c1-c1ccccn1.[Ir]
InChIInChI=1S/C9H5F3N3.Ir/c10-9(11,12)8-7(14-5-15-8)6-3-1-2-4-13-6;/h1-5H;/q-1;
InChIKeyVHIIFKSAIBJEGK-UHFFFAOYSA-N
XLogP2.12
TPSA39.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Imidazo(1,5-a)pyridine
CID 274090
7-(Trifluoromethyl)-3-(6-(trifluoromethyl)pyridin-2-yl)imidazo[1,2-a]pyrimidine
CID 9945466
3-(Pyridin-2-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 9921462
2-{1-[(1-propyl-1H-imidazol-2-yl)methyl]pyrrolidin-2-yl}pyridine
CID 56749720
3-(4-Fluoro-phenyl)-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 10869646
5-Heptyl-imidazo[1,5-a]pyridine
CID 44292202
2-(Trifluoromethyl)imidazo[1,2-a]pyridine
CID 11041437
1,4,7b-Triaza-cyclopenta[cd]indene
CID 23279326
Imidazo(1,5-a)pyridin-3-amine
CID 57791290
5-(1H-imidazol-1-yl)-2-methylpyridine
CID 71755404
1-[3-(2,5-dimethyl-1H-pyrrol-1-yl)propyl]-1H-imidazole
CID 737222
3-(4-Fluoro-phenyl)-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 11780883

Frequently Asked Questions

What is the IUPAC name of iridium;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine?
The IUPAC name of iridium;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine (CID 20807270) is iridium;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine.
What is the SMILES notation for iridium;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine?
The canonical SMILES for iridium;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine is FC(F)(F)c1nc[n-]c1-c1ccccn1.[Ir].
What is the InChIKey of iridium;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine?
The InChIKey is VHIIFKSAIBJEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N3.Ir/c10-9(11,12)8-7(14-5-15-8)6-3-1-2-4-13-6;/h1-5H;/q-1;.
What are the key properties of iridium;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine?
iridium;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine has a molecular weight of 404.37 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine is sourced from PubChem (CID 20807270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).