Zinc;bis(acetonitrile);(S)-[bis(pyridin-2-ylmethyl)amino]-pyridin-2-ylmethanol;diperchlorate

C₂₂H₂₄Cl₂N₆O₉Zn — CID 139121090

About Zinc;bis(acetonitrile);(S)-[bis(pyridin-2-ylmethyl)amino]-pyridin-2-ylmethanol;diperchlorate

Zinc;bis(acetonitrile);(S)-[bis(pyridin-2-ylmethyl)amino]-pyridin-2-ylmethanol;diperchlorate (PubChem CID 139121090) has the molecular formula C₂₂H₂₄Cl₂N₆O₉Zn and a molecular weight of 652.76 g/mol. Its IUPAC name is zinc;bis(acetonitrile);(S)-[bis(pyridin-2-ylmethyl)amino]-pyridin-2-ylmethanol;diperchlorate.

Molecular Properties

• Compound Name: Zinc;bis(acetonitrile);(S)-[bis(pyridin-2-ylmethyl)amino]-pyridin-2-ylmethanol;diperchlorate
• PubChem CID: 139121090
• Molecular Formula: C₂₂H₂₄Cl₂N₆O₉Zn
• Molecular Weight: 652.76 g/mol
• Exact Mass: 650.03
• IUPAC Name: zinc;bis(acetonitrile);(S)-[bis(pyridin-2-ylmethyl)amino]-pyridin-2-ylmethanol;diperchlorate
• SMILES: CC#N.CC#N.O[C@@H](c1ccccn1)N(Cc1ccccn1)Cc1ccccn1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2]
• InChI: InChI=1S/C18H18N4O.2C2H3N.2ClHO4.Zn/c23-18(17-9-3-6-12-21-17)22(13-15-7-1-4-10-19-15)14-16-8-2-5-11-20-16;2*1-2-3;2*2-1(3,4)5;/h1-12,18,23H,13-14H2;2*1H3;2*(H,2,3,4,5);/q;;;;;+2/p-2/t18-;;;;;/m0...../s1
• InChIKey: HNUJJWDLIPMYBX-BRHJORIOSA-L
• XLogP: -5.89
• TPSA: 294.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.76
LogP ≤ 5	-5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Zinc;bis(acetonitrile);(S)-[bis(pyridin-2-ylmethyl)amino]-pyridin-2-ylmethanol;diperchlorate?

The IUPAC name of Zinc;bis(acetonitrile);(S)-[bis(pyridin-2-ylmethyl)amino]-pyridin-2-ylmethanol;diperchlorate (CID 139121090) is zinc;bis(acetonitrile);(S)-[bis(pyridin-2-ylmethyl)amino]-pyridin-2-ylmethanol;diperchlorate.

What is the SMILES notation for Zinc;bis(acetonitrile);(S)-[bis(pyridin-2-ylmethyl)amino]-pyridin-2-ylmethanol;diperchlorate?

The canonical SMILES for Zinc;bis(acetonitrile);(S)-[bis(pyridin-2-ylmethyl)amino]-pyridin-2-ylmethanol;diperchlorate is CC#N.CC#N.O[C@@H](c1ccccn1)N(Cc1ccccn1)Cc1ccccn1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].

What is the InChIKey of Zinc;bis(acetonitrile);(S)-[bis(pyridin-2-ylmethyl)amino]-pyridin-2-ylmethanol;diperchlorate?

The InChIKey is HNUJJWDLIPMYBX-BRHJORIOSA-L. The full InChI is InChI=1S/C18H18N4O.2C2H3N.2ClHO4.Zn/c23-18(17-9-3-6-12-21-17)22(13-15-7-1-4-10-19-15)14-16-8-2-5-11-20-16;2*1-2-3;2*2-1(3,4)5;/h1-12,18,23H,13-14H2;2*1H3;2*(H,2,3,4,5);/q;;;;;+2/p-2/t18-;;;;;/m0...../s1.

What are the key properties of Zinc;bis(acetonitrile);(S)-[bis(pyridin-2-ylmethyl)amino]-pyridin-2-ylmethanol;diperchlorate?

Zinc;bis(acetonitrile);(S)-[bis(pyridin-2-ylmethyl)amino]-pyridin-2-ylmethanol;diperchlorate has a molecular weight of 652.76 g/mol, XLogP of -5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for Zinc;bis(acetonitrile);(S)-[bis(pyridin-2-ylmethyl)amino]-pyridin-2-ylmethanol;diperchlorate is sourced from PubChem (CID 139121090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139121090 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.