Cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol

C₂₈H₃₀CoI₄N₄O₄ — CID 139141631

About Cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol

Cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol (PubChem CID 139141631) has the molecular formula C₂₈H₃₀CoI₄N₄O₄ and a molecular weight of 1053.12 g/mol. Its IUPAC name is cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol.

Molecular Properties

• Compound Name: Cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol
• PubChem CID: 139141631
• Molecular Formula: C₂₈H₃₀CoI₄N₄O₄
• Molecular Weight: 1053.12 g/mol
• Exact Mass: 1052.78
• IUPAC Name: cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol
• SMILES: CO.CO.[Co+2].[O-]c1c(I)cc(I)cc1CNCc1ccccn1.[O-]c1c(I)cc(I)cc1CNCc1ccccn1
• InChI: InChI=1S/2C13H12I2N2O.2CH4O.Co/c2*14-10-5-9(13(18)12(15)6-10)7-16-8-11-3-1-2-4-17-11;2*1-2;/h2*1-6,16,18H,7-8H2;2*2H,1H3;/q;;;;+2/p-2
• InChIKey: NZVBZOMGMXQJON-UHFFFAOYSA-L
• XLogP: 4.52
• TPSA: 136.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	1053.12
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol?

The IUPAC name of Cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol (CID 139141631) is cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol.

What is the SMILES notation for Cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol?

The canonical SMILES for Cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol is CO.CO.[Co+2].[O-]c1c(I)cc(I)cc1CNCc1ccccn1.[O-]c1c(I)cc(I)cc1CNCc1ccccn1.

What is the InChIKey of Cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol?

The InChIKey is NZVBZOMGMXQJON-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H12I2N2O.2CH4O.Co/c2*14-10-5-9(13(18)12(15)6-10)7-16-8-11-3-1-2-4-17-11;2*1-2;/h2*1-6,16,18H,7-8H2;2*2H,1H3;/q;;;;+2/p-2.

What are the key properties of Cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol?

Cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol has a molecular weight of 1053.12 g/mol, XLogP of 4.52, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol is sourced from PubChem (CID 139141631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139141631 — identifiers, structure, computed properties (public domain)

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