bis(5-amino-2-(pyridin-2-ylmethyl)isoindole-1,3-dione);copper(1+);perchlorate

C28H22ClCuN6O8 — CID 139130566

About bis(5-amino-2-(pyridin-2-ylmethyl)isoindole-1,3-dione);copper(1+);perchlorate

bis(5-amino-2-(pyridin-2-ylmethyl)isoindole-1,3-dione);copper(1+);perchlorate (PubChem CID 139130566) has the molecular formula C28H22ClCuN6O8 and a molecular weight of 669.52 g/mol. Its IUPAC name is bis(5-amino-2-(pyridin-2-ylmethyl)isoindole-1,3-dione);copper(1+);perchlorate.

Molecular Properties

• Compound Name: bis(5-amino-2-(pyridin-2-ylmethyl)isoindole-1,3-dione);copper(1+);perchlorate
• PubChem CID: 139130566
• Molecular Formula: C28H22ClCuN6O8
• Molecular Weight: 669.52 g/mol
• Exact Mass: 668.05
• IUPAC Name: bis(5-amino-2-(pyridin-2-ylmethyl)isoindole-1,3-dione);copper(1+);perchlorate
• SMILES: Nc1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O.Nc1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O.[Cu+].[O-][Cl+3]([O-])([O-])[O-]
• InChI: InChI=1S/2C14H11N3O2.ClHO4.Cu/c2*15-9-4-5-11-12(7-9)14(19)17(13(11)18)8-10-3-1-2-6-16-10;2-1(3,4)5;/h2*1-7H,8,15H2;(H,2,3,4,5);/q;;;+1/p-1
• InChIKey: LQSHRUIYEZZAMJ-UHFFFAOYSA-M
• XLogP: -1.84
• TPSA: 244.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.52
LogP ≤ 5	-1.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(5-amino-2-(pyridin-2-ylmethyl)isoindole-1,3-dione);copper(1+);perchlorate?

The IUPAC name of bis(5-amino-2-(pyridin-2-ylmethyl)isoindole-1,3-dione);copper(1+);perchlorate (CID 139130566) is bis(5-amino-2-(pyridin-2-ylmethyl)isoindole-1,3-dione);copper(1+);perchlorate.

What is the SMILES notation for bis(5-amino-2-(pyridin-2-ylmethyl)isoindole-1,3-dione);copper(1+);perchlorate?

The canonical SMILES for bis(5-amino-2-(pyridin-2-ylmethyl)isoindole-1,3-dione);copper(1+);perchlorate is Nc1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O.Nc1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O.[Cu+].[O-][Cl+3]([O-])([O-])[O-].

What is the InChIKey of bis(5-amino-2-(pyridin-2-ylmethyl)isoindole-1,3-dione);copper(1+);perchlorate?

The InChIKey is LQSHRUIYEZZAMJ-UHFFFAOYSA-M. The full InChI is InChI=1S/2C14H11N3O2.ClHO4.Cu/c2*15-9-4-5-11-12(7-9)14(19)17(13(11)18)8-10-3-1-2-6-16-10;2-1(3,4)5;/h2*1-7H,8,15H2;(H,2,3,4,5);/q;;;+1/p-1.

What are the key properties of bis(5-amino-2-(pyridin-2-ylmethyl)isoindole-1,3-dione);copper(1+);perchlorate?

bis(5-amino-2-(pyridin-2-ylmethyl)isoindole-1,3-dione);copper(1+);perchlorate has a molecular weight of 669.52 g/mol, XLogP of -1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-amino-2-(pyridin-2-ylmethyl)isoindole-1,3-dione);copper(1+);perchlorate is sourced from PubChem (CID 139130566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).