2-(1H-inden-1-id-2-yl)pyridine;2-methylcyclopenta[b]pyrrole;zirconium(3+);dichloride

C22H17Cl2N2Zr — CID 18420911

IUPAC2-(1H-inden-1-id-2-yl)pyridine;2-methylcyclopenta[b]pyrrole;zirconium(3+);dichloride
SMILESCC1=NC2=CC=CC2=C1.[Cl-].[Cl-].[Zr+3].c1ccc(-c2cc3ccccc3[cH-]2)nc1
InChIInChI=1S/C14H10N.C8H7N.2ClH.Zr/c1-2-6-12-10-13(9-11(12)5-1)14-7-3-4-8-15-14;1-6-5-7-3-2-4-8(7)9-6;;;/h1-10H;2-5H,1H3;2*1H;/q-1;;;;+3/p-2
InChIKeyPDGKNWGMSJSMFJ-UHFFFAOYSA-L
MW471.52 g/mol
LogP-0.53
Rot. Bonds1

About 2-(1H-inden-1-id-2-yl)pyridine;2-methylcyclopenta[b]pyrrole;zirconium(3+);dichloride

2-(1H-inden-1-id-2-yl)pyridine;2-methylcyclopenta[b]pyrrole;zirconium(3+);dichloride (PubChem CID 18420911) has the molecular formula C22H17Cl2N2Zr and a molecular weight of 471.52 g/mol. Its IUPAC name is 2-(1H-inden-1-id-2-yl)pyridine;2-methylcyclopenta[b]pyrrole;zirconium(3+);dichloride.

Molecular Properties

Compound Name2-(1H-inden-1-id-2-yl)pyridine;2-methylcyclopenta[b]pyrrole;zirconium(3+);dichloride
PubChem CID18420911
Molecular FormulaC22H17Cl2N2Zr
Molecular Weight471.52 g/mol
Exact Mass468.98
IUPAC Name2-(1H-inden-1-id-2-yl)pyridine;2-methylcyclopenta[b]pyrrole;zirconium(3+);dichloride
SMILESCC1=NC2=CC=CC2=C1.[Cl-].[Cl-].[Zr+3].c1ccc(-c2cc3ccccc3[cH-]2)nc1
InChIInChI=1S/C14H10N.C8H7N.2ClH.Zr/c1-2-6-12-10-13(9-11(12)5-1)14-7-3-4-8-15-14;1-6-5-7-3-2-4-8(7)9-6;;;/h1-10H;2-5H,1H3;2*1H;/q-1;;;;+3/p-2
InChIKeyPDGKNWGMSJSMFJ-UHFFFAOYSA-L
XLogP-0.53
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1H-inden-1-id-2-yl)pyridine;2-methylcyclopenta[b]pyrrole;zirconium(3+);dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-inden-1-id-2-yl)-5-phenylfuran;2-methylcyclopenta[b]pyrrole;zirconium(3+);dichloride
CID 18420689
2-ethylcyclopenta[b]pyrrole;2-(1H-inden-1-id-2-yl)-5-propylthiophene;zirconium(3+);dichloride
CID 18420751
2-ethylcyclopenta[b]phosphole;2-(1H-inden-1-id-2-yl)-5-methylfuran;zirconium(3+);dichloride
CID 18420637
bis(2-(3,5-dimethylphenyl)-1H-inden-1-ide);zirconium(4+);dichloride
CID 87971540
dimethyl-[(5-methylcyclopenta[b]pyrrol-2-yl)methylidene]silane;2-(4-propylphenyl)-1H-inden-1-ide;zirconium(3+);dichloride
CID 161096908
dimethylsilylidenetitanium(2+);bis(2-phenyl-1H-inden-1-ide);dichloride
CID 87100881
magnesium;carbanide;2-phenyl-1H-inden-1-ide
CID 141374926
dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;dichloride
CID 18369835
2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;propan-2-ylidenezirconium(2+);dichloride
CID 18369824
bis(1H-inden-1-id-2-yl(trimethyl)silane);vanadium;chloride
CID 173274406
2-propan-2-yl-1H-inden-1-ide;zirconium(3+);dichloride
CID 87958358
ethylidenezirconium(2+);bis(2-phenyl-1H-inden-1-ide)
CID 173282953

Frequently Asked Questions

What is the IUPAC name of 2-(1H-inden-1-id-2-yl)pyridine;2-methylcyclopenta[b]pyrrole;zirconium(3+);dichloride?
The IUPAC name of 2-(1H-inden-1-id-2-yl)pyridine;2-methylcyclopenta[b]pyrrole;zirconium(3+);dichloride (CID 18420911) is 2-(1H-inden-1-id-2-yl)pyridine;2-methylcyclopenta[b]pyrrole;zirconium(3+);dichloride.
What is the SMILES notation for 2-(1H-inden-1-id-2-yl)pyridine;2-methylcyclopenta[b]pyrrole;zirconium(3+);dichloride?
The canonical SMILES for 2-(1H-inden-1-id-2-yl)pyridine;2-methylcyclopenta[b]pyrrole;zirconium(3+);dichloride is CC1=NC2=CC=CC2=C1.[Cl-].[Cl-].[Zr+3].c1ccc(-c2cc3ccccc3[cH-]2)nc1.
What is the InChIKey of 2-(1H-inden-1-id-2-yl)pyridine;2-methylcyclopenta[b]pyrrole;zirconium(3+);dichloride?
The InChIKey is PDGKNWGMSJSMFJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H10N.C8H7N.2ClH.Zr/c1-2-6-12-10-13(9-11(12)5-1)14-7-3-4-8-15-14;1-6-5-7-3-2-4-8(7)9-6;;;/h1-10H;2-5H,1H3;2*1H;/q-1;;;;+3/p-2.
What are the key properties of 2-(1H-inden-1-id-2-yl)pyridine;2-methylcyclopenta[b]pyrrole;zirconium(3+);dichloride?
2-(1H-inden-1-id-2-yl)pyridine;2-methylcyclopenta[b]pyrrole;zirconium(3+);dichloride has a molecular weight of 471.52 g/mol, XLogP of -0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-inden-1-id-2-yl)pyridine;2-methylcyclopenta[b]pyrrole;zirconium(3+);dichloride is sourced from PubChem (CID 18420911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).