cobalt(3+);tris(N-pyridin-3-ylpyridine-2-carboximidate)

C33H24CoN9O3 — CID 25146600

IUPACcobalt(3+);tris(N-pyridin-3-ylpyridine-2-carboximidate)
SMILES[Co+3].[O-]/C(=N/c1cccnc1)c1ccccn1.[O-]/C(=N/c1cccnc1)c1ccccn1.[O-]/C(=N\c1cccnc1)c1ccccn1
InChIInChI=1S/3C11H9N3O.Co/c3*15-11(10-5-1-2-7-13-10)14-9-4-3-6-12-8-9;/h3*1-8H,(H,14,15);/q;;;+3/p-3
InChIKeyPBNJCNWTMZMCAG-UHFFFAOYSA-K
MW653.55 g/mol
LogP2.74
Rot. Bonds6

About cobalt(3+);tris(N-pyridin-3-ylpyridine-2-carboximidate)

cobalt(3+);tris(N-pyridin-3-ylpyridine-2-carboximidate) (PubChem CID 25146600) has the molecular formula C33H24CoN9O3 and a molecular weight of 653.55 g/mol. Its IUPAC name is cobalt(3+);tris(N-pyridin-3-ylpyridine-2-carboximidate).

Molecular Properties

Compound Namecobalt(3+);tris(N-pyridin-3-ylpyridine-2-carboximidate)
PubChem CID25146600
Molecular FormulaC33H24CoN9O3
Molecular Weight653.55 g/mol
Exact Mass653.13
IUPAC Namecobalt(3+);tris(N-pyridin-3-ylpyridine-2-carboximidate)
SMILES[Co+3].[O-]/C(=N/c1cccnc1)c1ccccn1.[O-]/C(=N/c1cccnc1)c1ccccn1.[O-]/C(=N\c1cccnc1)c1ccccn1
InChIInChI=1S/3C11H9N3O.Co/c3*15-11(10-5-1-2-7-13-10)14-9-4-3-6-12-8-9;/h3*1-8H,(H,14,15);/q;;;+3/p-3
InChIKeyPBNJCNWTMZMCAG-UHFFFAOYSA-K
XLogP2.74
TPSA183.60 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.55
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cobalt(3+);tris(N-pyridin-3-ylpyridine-2-carboximidate)?
The IUPAC name of cobalt(3+);tris(N-pyridin-3-ylpyridine-2-carboximidate) (CID 25146600) is cobalt(3+);tris(N-pyridin-3-ylpyridine-2-carboximidate).
What is the SMILES notation for cobalt(3+);tris(N-pyridin-3-ylpyridine-2-carboximidate)?
The canonical SMILES for cobalt(3+);tris(N-pyridin-3-ylpyridine-2-carboximidate) is [Co+3].[O-]/C(=N/c1cccnc1)c1ccccn1.[O-]/C(=N/c1cccnc1)c1ccccn1.[O-]/C(=N\c1cccnc1)c1ccccn1.
What is the InChIKey of cobalt(3+);tris(N-pyridin-3-ylpyridine-2-carboximidate)?
The InChIKey is PBNJCNWTMZMCAG-UHFFFAOYSA-K. The full InChI is InChI=1S/3C11H9N3O.Co/c3*15-11(10-5-1-2-7-13-10)14-9-4-3-6-12-8-9;/h3*1-8H,(H,14,15);/q;;;+3/p-3.
What are the key properties of cobalt(3+);tris(N-pyridin-3-ylpyridine-2-carboximidate)?
cobalt(3+);tris(N-pyridin-3-ylpyridine-2-carboximidate) has a molecular weight of 653.55 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);tris(N-pyridin-3-ylpyridine-2-carboximidate) is sourced from PubChem (CID 25146600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).