acetonitrile;bis(copper(1+));bis(2-pyrazin-2-yl-1,8-naphthyridine);diperchlorate

C26H19Cl2Cu2N9O8 — CID 139170065

About acetonitrile;bis(copper(1+));bis(2-pyrazin-2-yl-1,8-naphthyridine);diperchlorate

acetonitrile;bis(copper(1+));bis(2-pyrazin-2-yl-1,8-naphthyridine);diperchlorate (PubChem CID 139170065) has the molecular formula C26H19Cl2Cu2N9O8 and a molecular weight of 783.49 g/mol. Its IUPAC name is acetonitrile;bis(copper(1+));bis(2-pyrazin-2-yl-1,8-naphthyridine);diperchlorate.

Molecular Properties

• Compound Name: acetonitrile;bis(copper(1+));bis(2-pyrazin-2-yl-1,8-naphthyridine);diperchlorate
• PubChem CID: 139170065
• Molecular Formula: C26H19Cl2Cu2N9O8
• Molecular Weight: 783.49 g/mol
• Exact Mass: 780.93
• IUPAC Name: acetonitrile;bis(copper(1+));bis(2-pyrazin-2-yl-1,8-naphthyridine);diperchlorate
• SMILES: CC#N.[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cnc2nc(-c3cnccn3)ccc2c1.c1cnc2nc(-c3cnccn3)ccc2c1
• InChI: InChI=1S/2C12H8N4.C2H3N.2ClHO4.2Cu/c2*1-2-9-3-4-10(16-12(9)15-5-1)11-8-13-6-7-14-11;1-2-3;2*2-1(3,4)5;;/h2*1-8H;1H3;2*(H,2,3,4,5);;/q;;;;;2*+1/p-2
• InChIKey: DUMGIGVXBUGJDK-UHFFFAOYSA-L
• XLogP: -4.81
• TPSA: 311.39 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 2
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	783.49
LogP ≤ 5	-4.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of acetonitrile;bis(copper(1+));bis(2-pyrazin-2-yl-1,8-naphthyridine);diperchlorate?

The IUPAC name of acetonitrile;bis(copper(1+));bis(2-pyrazin-2-yl-1,8-naphthyridine);diperchlorate (CID 139170065) is acetonitrile;bis(copper(1+));bis(2-pyrazin-2-yl-1,8-naphthyridine);diperchlorate.

What is the SMILES notation for acetonitrile;bis(copper(1+));bis(2-pyrazin-2-yl-1,8-naphthyridine);diperchlorate?

The canonical SMILES for acetonitrile;bis(copper(1+));bis(2-pyrazin-2-yl-1,8-naphthyridine);diperchlorate is CC#N.[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cnc2nc(-c3cnccn3)ccc2c1.c1cnc2nc(-c3cnccn3)ccc2c1.

What is the InChIKey of acetonitrile;bis(copper(1+));bis(2-pyrazin-2-yl-1,8-naphthyridine);diperchlorate?

The InChIKey is DUMGIGVXBUGJDK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H8N4.C2H3N.2ClHO4.2Cu/c2*1-2-9-3-4-10(16-12(9)15-5-1)11-8-13-6-7-14-11;1-2-3;2*2-1(3,4)5;;/h2*1-8H;1H3;2*(H,2,3,4,5);;/q;;;;;2*+1/p-2.

What are the key properties of acetonitrile;bis(copper(1+));bis(2-pyrazin-2-yl-1,8-naphthyridine);diperchlorate?

acetonitrile;bis(copper(1+));bis(2-pyrazin-2-yl-1,8-naphthyridine);diperchlorate has a molecular weight of 783.49 g/mol, XLogP of -4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for acetonitrile;bis(copper(1+));bis(2-pyrazin-2-yl-1,8-naphthyridine);diperchlorate is sourced from PubChem (CID 139170065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).