bis(acetonitrile);iridium

C4H6IrN2 — CID 58725429

IUPACbis(acetonitrile);iridium
SMILESCC#N.CC#N.[Ir]
InChIInChI=1S/2C2H3N.Ir/c2*1-2-3;/h2*1H3;
InChIKeyNFYRVBWNXMCKBM-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.06
Rot. Bonds

About bis(acetonitrile);iridium

bis(acetonitrile);iridium (PubChem CID 58725429) has the molecular formula C4H6IrN2 and a molecular weight of 274.32 g/mol. Its IUPAC name is bis(acetonitrile);iridium.

Molecular Properties

Compound Namebis(acetonitrile);iridium
PubChem CID58725429
Molecular FormulaC4H6IrN2
Molecular Weight274.32 g/mol
Exact Mass275.02
IUPAC Namebis(acetonitrile);iridium
SMILESCC#N.CC#N.[Ir]
InChIInChI=1S/2C2H3N.Ir/c2*1-2-3;/h2*1H3;
InChIKeyNFYRVBWNXMCKBM-UHFFFAOYSA-N
XLogP1.06
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);iridium?
The IUPAC name of bis(acetonitrile);iridium (CID 58725429) is bis(acetonitrile);iridium.
What is the SMILES notation for bis(acetonitrile);iridium?
The canonical SMILES for bis(acetonitrile);iridium is CC#N.CC#N.[Ir].
What is the InChIKey of bis(acetonitrile);iridium?
The InChIKey is NFYRVBWNXMCKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H3N.Ir/c2*1-2-3;/h2*1H3;.
What are the key properties of bis(acetonitrile);iridium?
bis(acetonitrile);iridium has a molecular weight of 274.32 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);iridium is sourced from PubChem (CID 58725429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).