cobalt(3+);tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol)

C30H24CoN6O6+3 — CID 140694715

IUPACcobalt(3+);tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol)
SMILESOc1ccnc(-c2cc(O)ccn2)c1.Oc1ccnc(-c2cc(O)ccn2)c1.Oc1ccnc(-c2cc(O)ccn2)c1.[Co+3]
InChIInChI=1S/3C10H8N2O2.Co/c3*13-7-1-3-11-9(5-7)10-6-8(14)2-4-12-10;/h3*1-6H,(H,11,13)(H,12,14);/q;;;+3
InChIKeyOHJSEMCLPLVGBW-UHFFFAOYSA-N
MW623.49 g/mol
LogP4.66
Rot. Bonds3

About cobalt(3+);tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol)

cobalt(3+);tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol) (PubChem CID 140694715) has the molecular formula C30H24CoN6O6+3 and a molecular weight of 623.49 g/mol. Its IUPAC name is cobalt(3+);tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol).

Molecular Properties

Compound Namecobalt(3+);tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol)
PubChem CID140694715
Molecular FormulaC30H24CoN6O6+3
Molecular Weight623.49 g/mol
Exact Mass623.11
IUPAC Namecobalt(3+);tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol)
SMILESOc1ccnc(-c2cc(O)ccn2)c1.Oc1ccnc(-c2cc(O)ccn2)c1.Oc1ccnc(-c2cc(O)ccn2)c1.[Co+3]
InChIInChI=1S/3C10H8N2O2.Co/c3*13-7-1-3-11-9(5-7)10-6-8(14)2-4-12-10;/h3*1-6H,(H,11,13)(H,12,14);/q;;;+3
InChIKeyOHJSEMCLPLVGBW-UHFFFAOYSA-N
XLogP4.66
TPSA198.72 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500623.49
LogP ≤ 54.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of cobalt(3+);tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol)?
The IUPAC name of cobalt(3+);tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol) (CID 140694715) is cobalt(3+);tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol).
What is the SMILES notation for cobalt(3+);tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol)?
The canonical SMILES for cobalt(3+);tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol) is Oc1ccnc(-c2cc(O)ccn2)c1.Oc1ccnc(-c2cc(O)ccn2)c1.Oc1ccnc(-c2cc(O)ccn2)c1.[Co+3].
What is the InChIKey of cobalt(3+);tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol)?
The InChIKey is OHJSEMCLPLVGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H8N2O2.Co/c3*13-7-1-3-11-9(5-7)10-6-8(14)2-4-12-10;/h3*1-6H,(H,11,13)(H,12,14);/q;;;+3.
What are the key properties of cobalt(3+);tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol)?
cobalt(3+);tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol) has a molecular weight of 623.49 g/mol, XLogP of 4.66, 3 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol) is sourced from PubChem (CID 140694715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).