cobalt;tris(6-pyridin-2-ylpyridine-3-carboxylic acid)

C33H24CoN6O6 — CID 159345950

IUPACcobalt;tris(6-pyridin-2-ylpyridine-3-carboxylic acid)
SMILESO=C(O)c1ccc(-c2ccccn2)nc1.O=C(O)c1ccc(-c2ccccn2)nc1.O=C(O)c1ccc(-c2ccccn2)nc1.[Co]
InChIInChI=1S/3C11H8N2O2.Co/c3*14-11(15)8-4-5-10(13-7-8)9-3-1-2-6-12-9;/h3*1-7H,(H,14,15);
InChIKeyLGSMWZOUSZETTH-UHFFFAOYSA-N
MW659.52 g/mol
LogP5.52
Rot. Bonds6

About cobalt;tris(6-pyridin-2-ylpyridine-3-carboxylic acid)

cobalt;tris(6-pyridin-2-ylpyridine-3-carboxylic acid) (PubChem CID 159345950) has the molecular formula C33H24CoN6O6 and a molecular weight of 659.52 g/mol. Its IUPAC name is cobalt;tris(6-pyridin-2-ylpyridine-3-carboxylic acid).

Molecular Properties

Compound Namecobalt;tris(6-pyridin-2-ylpyridine-3-carboxylic acid)
PubChem CID159345950
Molecular FormulaC33H24CoN6O6
Molecular Weight659.52 g/mol
Exact Mass659.11
IUPAC Namecobalt;tris(6-pyridin-2-ylpyridine-3-carboxylic acid)
SMILESO=C(O)c1ccc(-c2ccccn2)nc1.O=C(O)c1ccc(-c2ccccn2)nc1.O=C(O)c1ccc(-c2ccccn2)nc1.[Co]
InChIInChI=1S/3C11H8N2O2.Co/c3*14-11(15)8-4-5-10(13-7-8)9-3-1-2-6-12-9;/h3*1-7H,(H,14,15);
InChIKeyLGSMWZOUSZETTH-UHFFFAOYSA-N
XLogP5.52
TPSA189.24 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.52
LogP ≤ 55.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of cobalt;tris(6-pyridin-2-ylpyridine-3-carboxylic acid)?
The IUPAC name of cobalt;tris(6-pyridin-2-ylpyridine-3-carboxylic acid) (CID 159345950) is cobalt;tris(6-pyridin-2-ylpyridine-3-carboxylic acid).
What is the SMILES notation for cobalt;tris(6-pyridin-2-ylpyridine-3-carboxylic acid)?
The canonical SMILES for cobalt;tris(6-pyridin-2-ylpyridine-3-carboxylic acid) is O=C(O)c1ccc(-c2ccccn2)nc1.O=C(O)c1ccc(-c2ccccn2)nc1.O=C(O)c1ccc(-c2ccccn2)nc1.[Co].
What is the InChIKey of cobalt;tris(6-pyridin-2-ylpyridine-3-carboxylic acid)?
The InChIKey is LGSMWZOUSZETTH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H8N2O2.Co/c3*14-11(15)8-4-5-10(13-7-8)9-3-1-2-6-12-9;/h3*1-7H,(H,14,15);.
What are the key properties of cobalt;tris(6-pyridin-2-ylpyridine-3-carboxylic acid)?
cobalt;tris(6-pyridin-2-ylpyridine-3-carboxylic acid) has a molecular weight of 659.52 g/mol, XLogP of 5.52, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;tris(6-pyridin-2-ylpyridine-3-carboxylic acid) is sourced from PubChem (CID 159345950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).