sodium;cobalt(3+);2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrophenolate;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate

C32H20CoN8NaO8 — CID 165362647

About sodium;cobalt(3+);2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrophenolate;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate

sodium;cobalt(3+);2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrophenolate;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate (PubChem CID 165362647) has the molecular formula C32H20CoN8NaO8 and a molecular weight of 726.48 g/mol. Its IUPAC name is sodium;cobalt(3+);2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrophenolate;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate.

Molecular Properties

• Compound Name: sodium;cobalt(3+);2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrophenolate;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate
• PubChem CID: 165362647
• Molecular Formula: C32H20CoN8NaO8
• Molecular Weight: 726.48 g/mol
• Exact Mass: 726.06
• IUPAC Name: sodium;cobalt(3+);2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrophenolate;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate
• SMILES: Cc1[n-]n(-c2ccccc2)c(=O)c1/N=N/c1ccc([N+](=O)[O-])cc1[O-].O=[N+]([O-])c1ccc(/N=N/c2c([O-])ccc3ccccc23)c([O-])c1.[Co+3].[Na+]
• InChI: InChI=1S/C16H13N5O4.C16H11N3O4.Co.Na/c1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-8-7-12(21(24)25)9-14(13)22;20-14-8-5-10-3-1-2-4-12(10)16(14)18-17-13-7-6-11(19(22)23)9-15(13)21;;/h2-9H,1H3,(H2,17,18,19,22,23);1-9,20-21H;;/q;;+3;+1/p-4/b;18-17+
• InChIKey: OHHKOCFVLDFHBD-IRSPKMKOSA-J
• XLogP: 2.81
• TPSA: 241.00 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.48
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

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 sodium;cobalt(3+);2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrophenolate;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate?

The IUPAC name of sodium;cobalt(3+);2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrophenolate;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate (CID 165362647) is sodium;cobalt(3+);2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrophenolate;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate.

What is the SMILES notation for sodium;cobalt(3+);2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrophenolate;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate?

The canonical SMILES for sodium;cobalt(3+);2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrophenolate;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate is Cc1[n-]n(-c2ccccc2)c(=O)c1/N=N/c1ccc([N+](=O)[O-])cc1[O-].O=[N+]([O-])c1ccc(/N=N/c2c([O-])ccc3ccccc23)c([O-])c1.[Co+3].[Na+].

What is the InChIKey of sodium;cobalt(3+);2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrophenolate;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate?

The InChIKey is OHHKOCFVLDFHBD-IRSPKMKOSA-J. The full InChI is InChI=1S/C16H13N5O4.C16H11N3O4.Co.Na/c1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-8-7-12(21(24)25)9-14(13)22;20-14-8-5-10-3-1-2-4-12(10)16(14)18-17-13-7-6-11(19(22)23)9-15(13)21;;/h2-9H,1H3,(H2,17,18,19,22,23);1-9,20-21H;;/q;;+3;+1/p-4/b;18-17+;;.

What are the key properties of sodium;cobalt(3+);2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrophenolate;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate?

sodium;cobalt(3+);2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrophenolate;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate has a molecular weight of 726.48 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;cobalt(3+);2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrophenolate;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate is sourced from PubChem (CID 165362647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).