cobalt(2+);hexakis(N,N-dimethylformamide);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoic acid);dichloride

C62H72Cl2CoN12O10 — CID 139182950

About cobalt(2+);hexakis(N,N-dimethylformamide);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoic acid);dichloride

cobalt(2+);hexakis(N,N-dimethylformamide);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoic acid);dichloride (PubChem CID 139182950) has the molecular formula C62H72Cl2CoN12O10 and a molecular weight of 1275.17 g/mol. Its IUPAC name is cobalt(2+);hexakis(N,N-dimethylformamide);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoic acid);dichloride.

Molecular Properties

• Compound Name: cobalt(2+);hexakis(N,N-dimethylformamide);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoic acid);dichloride
• PubChem CID: 139182950
• Molecular Formula: C62H72Cl2CoN12O10
• Molecular Weight: 1275.17 g/mol
• Exact Mass: 1273.42
• IUPAC Name: cobalt(2+);hexakis(N,N-dimethylformamide);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoic acid);dichloride
• SMILES: CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.O=C(O)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.O=C(O)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Cl-].[Cl-].[Co+2]
• InChI: InChI=1S/2C22H15N3O2.6C3H7NO.2ClH.Co/c2*26-22(27)16-9-7-15(8-10-16)17-13-20(18-5-1-3-11-23-18)25-21(14-17)19-6-2-4-12-24-19;6*1-4(2)3-5;;;/h2*1-14H,(H,26,27);6*3H,1-2H3;2*1H;/q;;;;;;;;;;+2/p-2
• InChIKey: OCEQDOAGBPLRSN-UHFFFAOYSA-L
• XLogP: 1.37
• TPSA: 273.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1275.17
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);hexakis(N,N-dimethylformamide);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoic acid);dichloride?

The IUPAC name of cobalt(2+);hexakis(N,N-dimethylformamide);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoic acid);dichloride (CID 139182950) is cobalt(2+);hexakis(N,N-dimethylformamide);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoic acid);dichloride.

What is the SMILES notation for cobalt(2+);hexakis(N,N-dimethylformamide);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoic acid);dichloride?

The canonical SMILES for cobalt(2+);hexakis(N,N-dimethylformamide);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoic acid);dichloride is CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.O=C(O)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.O=C(O)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Cl-].[Cl-].[Co+2].

What is the InChIKey of cobalt(2+);hexakis(N,N-dimethylformamide);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoic acid);dichloride?

The InChIKey is OCEQDOAGBPLRSN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C22H15N3O2.6C3H7NO.2ClH.Co/c2*26-22(27)16-9-7-15(8-10-16)17-13-20(18-5-1-3-11-23-18)25-21(14-17)19-6-2-4-12-24-19;6*1-4(2)3-5;;;/h2*1-14H,(H,26,27);6*3H,1-2H3;2*1H;/q;;;;;;;;;;+2/p-2.

What are the key properties of cobalt(2+);hexakis(N,N-dimethylformamide);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoic acid);dichloride?

cobalt(2+);hexakis(N,N-dimethylformamide);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoic acid);dichloride has a molecular weight of 1275.17 g/mol, XLogP of 1.37, 14 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(2+);hexakis(N,N-dimethylformamide);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoic acid);dichloride is sourced from PubChem (CID 139182950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).