iridium;oxadiazole

C2H2IrN2O — CID 175016020

IUPACiridium;oxadiazole
SMILES[Ir].c1conn1
InChIInChI=1S/C2H2N2O.Ir/c1-2-5-4-3-1;/h1-2H;
InChIKeyYJMKJJHUNKDKPX-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.07
Rot. Bonds

About iridium;oxadiazole

iridium;oxadiazole (PubChem CID 175016020) has the molecular formula C2H2IrN2O and a molecular weight of 262.27 g/mol. Its IUPAC name is iridium;oxadiazole.

Molecular Properties

Compound Nameiridium;oxadiazole
PubChem CID175016020
Molecular FormulaC2H2IrN2O
Molecular Weight262.27 g/mol
Exact Mass262.98
IUPAC Nameiridium;oxadiazole
SMILES[Ir].c1conn1
InChIInChI=1S/C2H2N2O.Ir/c1-2-5-4-3-1;/h1-2H;
InChIKeyYJMKJJHUNKDKPX-UHFFFAOYSA-N
XLogP0.07
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Oxadiazole
CID 10197612
3,4-Oxadiazole hydrochloride
CID 21476690
Oxadiazole sulfide
CID 22009551
Oxadiazole 2-oxide
CID 22227518
3-Oxadiazolium chloride
CID 70558369
Oxadiazole water
CID 132427470
1,1,1,3,3,3-Hexafluoropropane;oxadiazole
CID 159434578
3-Oxidooxadiazol-3-ium
CID 18184774
Azane;oxadiazole
CID 19780339
2-Methyloxadiazol-2-ium
CID 20340722
Acetic acid;oxadiazole
CID 20502467
CID 21291540
CID 21291540

Frequently Asked Questions

What is the IUPAC name of iridium;oxadiazole?
The IUPAC name of iridium;oxadiazole (CID 175016020) is iridium;oxadiazole.
What is the SMILES notation for iridium;oxadiazole?
The canonical SMILES for iridium;oxadiazole is [Ir].c1conn1.
What is the InChIKey of iridium;oxadiazole?
The InChIKey is YJMKJJHUNKDKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N2O.Ir/c1-2-5-4-3-1;/h1-2H;.
What are the key properties of iridium;oxadiazole?
iridium;oxadiazole has a molecular weight of 262.27 g/mol, XLogP of 0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;oxadiazole is sourced from PubChem (CID 175016020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).