cobalt(3+);1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate

C32H22CoN8O8+ — CID 170839867

About cobalt(3+);1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate

cobalt(3+);1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate (PubChem CID 170839867) has the molecular formula C32H22CoN8O8+ and a molecular weight of 705.51 g/mol. Its IUPAC name is cobalt(3+);1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate.

Molecular Properties

• Compound Name: cobalt(3+);1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate
• PubChem CID: 170839867
• Molecular Formula: C32H22CoN8O8+
• Molecular Weight: 705.51 g/mol
• Exact Mass: 705.09
• IUPAC Name: cobalt(3+);1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate
• SMILES: Cc1nn(-c2ccccc2)c([O-])c1/N=N/c1cc([N+](=O)[O-])ccc1[O-].O=[N+]([O-])c1ccc(O)c(/N=N/c2c(O)ccc3ccccc23)c1.[Co+3]
• InChI: InChI=1S/C16H13N5O4.C16H11N3O4.Co/c1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22;20-14-8-6-11(19(22)23)9-13(14)17-18-16-12-4-2-1-3-10(12)5-7-15(16)21;/h2-9,22-23H,1H3;1-9,20-21H;/q;;+3/p-2/b2*18-17+
• InChIKey: VDICFLUCIVBPAG-IVYOCVIQSA-L
• XLogP: 7.22
• TPSA: 240.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	705.51
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

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+);1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate?

The IUPAC name of cobalt(3+);1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate (CID 170839867) is cobalt(3+);1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate.

What is the SMILES notation for cobalt(3+);1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate?

The canonical SMILES for cobalt(3+);1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate is Cc1nn(-c2ccccc2)c([O-])c1/N=N/c1cc([N+](=O)[O-])ccc1[O-].O=[N+]([O-])c1ccc(O)c(/N=N/c2c(O)ccc3ccccc23)c1.[Co+3].

What is the InChIKey of cobalt(3+);1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate?

The InChIKey is VDICFLUCIVBPAG-IVYOCVIQSA-L. The full InChI is InChI=1S/C16H13N5O4.C16H11N3O4.Co/c1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22;20-14-8-6-11(19(22)23)9-13(14)17-18-16-12-4-2-1-3-10(12)5-7-15(16)21;/h2-9,22-23H,1H3;1-9,20-21H;/q;;+3/p-2/b2*18-17+;.

What are the key properties of cobalt(3+);1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate?

cobalt(3+);1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate has a molecular weight of 705.51 g/mol, XLogP of 7.22, 7 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(3+);1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate is sourced from PubChem (CID 170839867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).