bromobenzene;iridium;pyridine

C11H9BrIrN- — CID 87645537

IUPACbromobenzene;iridium;pyridine
SMILESBrc1[c-]cccc1.[Ir].c1ccncc1
InChIInChI=1S/C6H4Br.C5H5N.Ir/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;/h1-4H;1-5H;/q-1;;
InChIKeyLJUXUUCXWUJOGW-UHFFFAOYSA-N
MW427.32 g/mol
LogP3.33
Rot. Bonds

About bromobenzene;iridium;pyridine

bromobenzene;iridium;pyridine (PubChem CID 87645537) has the molecular formula C11H9BrIrN- and a molecular weight of 427.32 g/mol. Its IUPAC name is bromobenzene;iridium;pyridine.

Molecular Properties

Compound Namebromobenzene;iridium;pyridine
PubChem CID87645537
Molecular FormulaC11H9BrIrN-
Molecular Weight427.32 g/mol
Exact Mass426.96
IUPAC Namebromobenzene;iridium;pyridine
SMILESBrc1[c-]cccc1.[Ir].c1ccncc1
InChIInChI=1S/C6H4Br.C5H5N.Ir/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;/h1-4H;1-5H;/q-1;;
InChIKeyLJUXUUCXWUJOGW-UHFFFAOYSA-N
XLogP3.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 53.33
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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Frequently Asked Questions

What is the IUPAC name of bromobenzene;iridium;pyridine?
The IUPAC name of bromobenzene;iridium;pyridine (CID 87645537) is bromobenzene;iridium;pyridine.
What is the SMILES notation for bromobenzene;iridium;pyridine?
The canonical SMILES for bromobenzene;iridium;pyridine is Brc1[c-]cccc1.[Ir].c1ccncc1.
What is the InChIKey of bromobenzene;iridium;pyridine?
The InChIKey is LJUXUUCXWUJOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br.C5H5N.Ir/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;/h1-4H;1-5H;/q-1;;.
What are the key properties of bromobenzene;iridium;pyridine?
bromobenzene;iridium;pyridine has a molecular weight of 427.32 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromobenzene;iridium;pyridine is sourced from PubChem (CID 87645537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).