iridium;3-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide

C12H9IrN2- — CID 58517582

IUPACiridium;3-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide
SMILESCc1cnc2c3[c-]cccc3ccn12.[Ir]
InChIInChI=1S/C12H9N2.Ir/c1-9-8-13-12-11-5-3-2-4-10(11)6-7-14(9)12;/h2-4,6-8H,1H3;/q-1;
InChIKeyAPSKIFJXXYEKPZ-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.59
Rot. Bonds

About iridium;3-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide

iridium;3-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide (PubChem CID 58517582) has the molecular formula C12H9IrN2- and a molecular weight of 373.44 g/mol. Its IUPAC name is iridium;3-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide.

Molecular Properties

Compound Nameiridium;3-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide
PubChem CID58517582
Molecular FormulaC12H9IrN2-
Molecular Weight373.44 g/mol
Exact Mass374.04
IUPAC Nameiridium;3-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide
SMILESCc1cnc2c3[c-]cccc3ccn12.[Ir]
InChIInChI=1S/C12H9N2.Ir/c1-9-8-13-12-11-5-3-2-4-10(11)6-7-14(9)12;/h2-4,6-8H,1H3;/q-1;
InChIKeyAPSKIFJXXYEKPZ-UHFFFAOYSA-N
XLogP2.59
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 iridium;3-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide?
The IUPAC name of iridium;3-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide (CID 58517582) is iridium;3-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide.
What is the SMILES notation for iridium;3-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide?
The canonical SMILES for iridium;3-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide is Cc1cnc2c3[c-]cccc3ccn12.[Ir].
What is the InChIKey of iridium;3-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide?
The InChIKey is APSKIFJXXYEKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N2.Ir/c1-9-8-13-12-11-5-3-2-4-10(11)6-7-14(9)12;/h2-4,6-8H,1H3;/q-1;.
What are the key properties of iridium;3-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide?
iridium;3-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide has a molecular weight of 373.44 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;3-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide is sourced from PubChem (CID 58517582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).