cobalt(3+);2-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-1-olate;2-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-1-olate

C32H19CoN6O8 — CID 170842552

About cobalt(3+);2-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-1-olate;2-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-1-olate

cobalt(3+);2-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-1-olate;2-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-1-olate (PubChem CID 170842552) has the molecular formula C32H19CoN6O8 and a molecular weight of 674.47 g/mol. Its IUPAC name is cobalt(3+);2-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-1-olate;2-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-1-olate.

Molecular Properties

• Compound Name: cobalt(3+);2-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-1-olate;2-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-1-olate
• PubChem CID: 170842552
• Molecular Formula: C32H19CoN6O8
• Molecular Weight: 674.47 g/mol
• Exact Mass: 674.06
• IUPAC Name: cobalt(3+);2-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-1-olate;2-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-1-olate
• SMILES: O=[N+]([O-])c1ccc(/N=N/c2ccc3ccccc3c2[O-])c([O-])c1.O=[N+]([O-])c1ccc(/N=N\c2ccc3ccccc3c2[O-])c(O)c1.[Co+3]
• InChI: InChI=1S/2C16H11N3O4.Co/c2*20-15-9-11(19(22)23)6-8-13(15)17-18-14-7-5-10-3-1-2-4-12(10)16(14)21;/h2*1-9,20-21H;/q;;+3/p-3/b18-17+;18-17-
• InChIKey: QOUPJTRZOOSQQZ-UXJVHJBYSA-K
• XLogP: 7.25
• TPSA: 225.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	674.47
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);2-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-1-olate;2-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-1-olate?

The IUPAC name of cobalt(3+);2-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-1-olate;2-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-1-olate (CID 170842552) is cobalt(3+);2-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-1-olate;2-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-1-olate.

What is the SMILES notation for cobalt(3+);2-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-1-olate;2-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-1-olate?

The canonical SMILES for cobalt(3+);2-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-1-olate;2-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-1-olate is O=[N+]([O-])c1ccc(/N=N/c2ccc3ccccc3c2[O-])c([O-])c1.O=[N+]([O-])c1ccc(/N=N\c2ccc3ccccc3c2[O-])c(O)c1.[Co+3].

What is the InChIKey of cobalt(3+);2-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-1-olate;2-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-1-olate?

The InChIKey is QOUPJTRZOOSQQZ-UXJVHJBYSA-K. The full InChI is InChI=1S/2C16H11N3O4.Co/c2*20-15-9-11(19(22)23)6-8-13(15)17-18-14-7-5-10-3-1-2-4-12(10)16(14)21;/h2*1-9,20-21H;/q;;+3/p-3/b18-17+;18-17-;.

What are the key properties of cobalt(3+);2-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-1-olate;2-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-1-olate?

cobalt(3+);2-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-1-olate;2-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-1-olate has a molecular weight of 674.47 g/mol, XLogP of 7.25, 6 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(3+);2-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-1-olate;2-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-1-olate is sourced from PubChem (CID 170842552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).