bis(4-chloropyridine);cobalt(3+);methanol;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;perchlorate

C27H26Cl3CoN4O7 — CID 139080116

About bis(4-chloropyridine);cobalt(3+);methanol;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;perchlorate

bis(4-chloropyridine);cobalt(3+);methanol;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;perchlorate (PubChem CID 139080116) has the molecular formula C27H26Cl3CoN4O7 and a molecular weight of 683.82 g/mol. Its IUPAC name is bis(4-chloropyridine);cobalt(3+);methanol;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;perchlorate.

Molecular Properties

• Compound Name: bis(4-chloropyridine);cobalt(3+);methanol;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;perchlorate
• PubChem CID: 139080116
• Molecular Formula: C27H26Cl3CoN4O7
• Molecular Weight: 683.82 g/mol
• Exact Mass: 682.02
• IUPAC Name: bis(4-chloropyridine);cobalt(3+);methanol;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;perchlorate
• SMILES: CO.Clc1ccncc1.Clc1ccncc1.[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-]
• InChI: InChI=1S/C16H16N2O2.2C5H4ClN.CH4O.ClHO4.Co/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;2*6-5-1-3-7-4-2-5;1-2;2-1(3,4)5;/h1-8,11-12,19-20H,9-10H2;2*1-4H;2H,1H3;(H,2,3,4,5);/q;;;;;+3/p-3/b17-11+,18-12+
• InChIKey: DVHFYAHUJBTRME-IZULZMQXSA-K
• XLogP: -0.31
• TPSA: 209.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	683.82
LogP ≤ 5	-0.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(4-chloropyridine);cobalt(3+);methanol;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;perchlorate?

The IUPAC name of bis(4-chloropyridine);cobalt(3+);methanol;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;perchlorate (CID 139080116) is bis(4-chloropyridine);cobalt(3+);methanol;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;perchlorate.

What is the SMILES notation for bis(4-chloropyridine);cobalt(3+);methanol;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;perchlorate?

The canonical SMILES for bis(4-chloropyridine);cobalt(3+);methanol;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;perchlorate is CO.Clc1ccncc1.Clc1ccncc1.[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].

What is the InChIKey of bis(4-chloropyridine);cobalt(3+);methanol;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;perchlorate?

The InChIKey is DVHFYAHUJBTRME-IZULZMQXSA-K. The full InChI is InChI=1S/C16H16N2O2.2C5H4ClN.CH4O.ClHO4.Co/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;2*6-5-1-3-7-4-2-5;1-2;2-1(3,4)5;/h1-8,11-12,19-20H,9-10H2;2*1-4H;2H,1H3;(H,2,3,4,5);/q;;;;;+3/p-3/b17-11+,18-12+;;;;;.

What are the key properties of bis(4-chloropyridine);cobalt(3+);methanol;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;perchlorate?

bis(4-chloropyridine);cobalt(3+);methanol;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;perchlorate has a molecular weight of 683.82 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-chloropyridine);cobalt(3+);methanol;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;perchlorate is sourced from PubChem (CID 139080116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).