CID 158581275

BIrO — CID 158581275

IUPAC—
SMILES[B]=O.[Ir]
InChIInChI=1S/BO.Ir/c1-2;
InChIKeyHTGWZHALPCLCLM-UHFFFAOYSA-N
MW219.03 g/mol
LogP-0.50
Rot. Bonds

About CID 158581275

CID 158581275 (PubChem CID 158581275) has the molecular formula BIrO and a molecular weight of 219.03 g/mol.

Molecular Properties

Compound NameCID 158581275
PubChem CID158581275
Molecular FormulaBIrO
Molecular Weight219.03 g/mol
Exact Mass219.97
IUPAC Name—
SMILES[B]=O.[Ir]
InChIInChI=1S/BO.Ir/c1-2;
InChIKeyHTGWZHALPCLCLM-UHFFFAOYSA-N
XLogP-0.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.03
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 158581275?
The IUPAC name of CID 158581275 (CID 158581275) is not available.
What is the SMILES notation for CID 158581275?
The canonical SMILES for CID 158581275 is [B]=O.[Ir].
What is the InChIKey of CID 158581275?
The InChIKey is HTGWZHALPCLCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/BO.Ir/c1-2;.
What are the key properties of CID 158581275?
CID 158581275 has a molecular weight of 219.03 g/mol, XLogP of -0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158581275 is sourced from PubChem (CID 158581275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).