iridium;2-(4-methyl-2H-pyrrol-2-id-1-yl)pyridine

C10H9IrN2- — CID 58814052

IUPACiridium;2-(4-methyl-2H-pyrrol-2-id-1-yl)pyridine
SMILESCc1c[c-]n(-c2ccccn2)c1.[Ir]
InChIInChI=1S/C10H9N2.Ir/c1-9-5-7-12(8-9)10-4-2-3-6-11-10;/h2-6,8H,1H3;/q-1;
InChIKeyPPVYSIUGPZNCJI-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.98
Rot. Bonds1

About iridium;2-(4-methyl-2H-pyrrol-2-id-1-yl)pyridine

iridium;2-(4-methyl-2H-pyrrol-2-id-1-yl)pyridine (PubChem CID 58814052) has the molecular formula C10H9IrN2- and a molecular weight of 349.41 g/mol. Its IUPAC name is iridium;2-(4-methyl-2H-pyrrol-2-id-1-yl)pyridine.

Molecular Properties

Compound Nameiridium;2-(4-methyl-2H-pyrrol-2-id-1-yl)pyridine
PubChem CID58814052
Molecular FormulaC10H9IrN2-
Molecular Weight349.41 g/mol
Exact Mass350.04
IUPAC Nameiridium;2-(4-methyl-2H-pyrrol-2-id-1-yl)pyridine
SMILESCc1c[c-]n(-c2ccccn2)c1.[Ir]
InChIInChI=1S/C10H9N2.Ir/c1-9-5-7-12(8-9)10-4-2-3-6-11-10;/h2-6,8H,1H3;/q-1;
InChIKeyPPVYSIUGPZNCJI-UHFFFAOYSA-N
XLogP1.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.98
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of iridium;2-(4-methyl-2H-pyrrol-2-id-1-yl)pyridine?
The IUPAC name of iridium;2-(4-methyl-2H-pyrrol-2-id-1-yl)pyridine (CID 58814052) is iridium;2-(4-methyl-2H-pyrrol-2-id-1-yl)pyridine.
What is the SMILES notation for iridium;2-(4-methyl-2H-pyrrol-2-id-1-yl)pyridine?
The canonical SMILES for iridium;2-(4-methyl-2H-pyrrol-2-id-1-yl)pyridine is Cc1c[c-]n(-c2ccccn2)c1.[Ir].
What is the InChIKey of iridium;2-(4-methyl-2H-pyrrol-2-id-1-yl)pyridine?
The InChIKey is PPVYSIUGPZNCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N2.Ir/c1-9-5-7-12(8-9)10-4-2-3-6-11-10;/h2-6,8H,1H3;/q-1;.
What are the key properties of iridium;2-(4-methyl-2H-pyrrol-2-id-1-yl)pyridine?
iridium;2-(4-methyl-2H-pyrrol-2-id-1-yl)pyridine has a molecular weight of 349.41 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(4-methyl-2H-pyrrol-2-id-1-yl)pyridine is sourced from PubChem (CID 58814052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).