cobalt;bis(6-pyridin-2-ylpyridine-3-carboxylic acid);(6-pyridin-2-yl-3-pyridinyl) formate

C33H24CoN6O6 — CID 164736030

IUPACcobalt;bis(6-pyridin-2-ylpyridine-3-carboxylic acid);(6-pyridin-2-yl-3-pyridinyl) formate
SMILESO=C(O)c1ccc(-c2ccccn2)nc1.O=C(O)c1ccc(-c2ccccn2)nc1.O=COc1ccc(-c2ccccn2)nc1.[Co]
InChIInChI=1S/3C11H8N2O2.Co/c14-8-15-9-4-5-11(13-7-9)10-3-1-2-6-12-10;2*14-11(15)8-4-5-10(13-7-8)9-3-1-2-6-12-9;/h1-8H;2*1-7H,(H,14,15);
InChIKeyVMFQDHTXWRGLOQ-UHFFFAOYSA-N
MW659.52 g/mol
LogP5.36
Rot. Bonds7

About cobalt;bis(6-pyridin-2-ylpyridine-3-carboxylic acid);(6-pyridin-2-yl-3-pyridinyl) formate

cobalt;bis(6-pyridin-2-ylpyridine-3-carboxylic acid);(6-pyridin-2-yl-3-pyridinyl) formate (PubChem CID 164736030) has the molecular formula C33H24CoN6O6 and a molecular weight of 659.52 g/mol. Its IUPAC name is cobalt;bis(6-pyridin-2-ylpyridine-3-carboxylic acid);(6-pyridin-2-yl-3-pyridinyl) formate.

Molecular Properties

Compound Namecobalt;bis(6-pyridin-2-ylpyridine-3-carboxylic acid);(6-pyridin-2-yl-3-pyridinyl) formate
PubChem CID164736030
Molecular FormulaC33H24CoN6O6
Molecular Weight659.52 g/mol
Exact Mass659.11
IUPAC Namecobalt;bis(6-pyridin-2-ylpyridine-3-carboxylic acid);(6-pyridin-2-yl-3-pyridinyl) formate
SMILESO=C(O)c1ccc(-c2ccccn2)nc1.O=C(O)c1ccc(-c2ccccn2)nc1.O=COc1ccc(-c2ccccn2)nc1.[Co]
InChIInChI=1S/3C11H8N2O2.Co/c14-8-15-9-4-5-11(13-7-9)10-3-1-2-6-12-10;2*14-11(15)8-4-5-10(13-7-8)9-3-1-2-6-12-9;/h1-8H;2*1-7H,(H,14,15);
InChIKeyVMFQDHTXWRGLOQ-UHFFFAOYSA-N
XLogP5.36
TPSA178.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.52
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 158660187
2-(5,6-dimethoxy-3-pyridinyl)-6-(5-methoxy-3-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 5-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyridine-3-carboxylate;ethyl 2-[5-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-2-pyridinyl]-2,2-difluoroacetate
CID 160211713
Dizinc;bis(5-(4-carboxylatophenoxy)pyridine-3-carboxylate);bis(2-pyridin-2-ylpyridine)
CID 139171175
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylic acid;ruthenium(2+);isothiocyanate;thiocyanate
CID 20606336
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate
CID 21058887
Sodium;4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine;2-[4-(oxomethoxy)-2-pyridinyl]pyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate
CID 57773960
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;ruthenium(2+);isothiocyanate;thiocyanate
CID 58130984
2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine;ruthenium(2+);diisothiocyanate
CID 58174941
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate
CID 58174948
2-(4-Formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate
CID 58174960
2-(4-Formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(5-hexylfuran-2-yl)-2-[4-(5-hexylfuran-2-yl)-2-pyridinyl]pyridine;ruthenium(2+);diisothiocyanate
CID 58184834
Bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);ruthenium(2+);diisothiocyanate
CID 58219820

Frequently Asked Questions

What is the IUPAC name of cobalt;bis(6-pyridin-2-ylpyridine-3-carboxylic acid);(6-pyridin-2-yl-3-pyridinyl) formate?
The IUPAC name of cobalt;bis(6-pyridin-2-ylpyridine-3-carboxylic acid);(6-pyridin-2-yl-3-pyridinyl) formate (CID 164736030) is cobalt;bis(6-pyridin-2-ylpyridine-3-carboxylic acid);(6-pyridin-2-yl-3-pyridinyl) formate.
What is the SMILES notation for cobalt;bis(6-pyridin-2-ylpyridine-3-carboxylic acid);(6-pyridin-2-yl-3-pyridinyl) formate?
The canonical SMILES for cobalt;bis(6-pyridin-2-ylpyridine-3-carboxylic acid);(6-pyridin-2-yl-3-pyridinyl) formate is O=C(O)c1ccc(-c2ccccn2)nc1.O=C(O)c1ccc(-c2ccccn2)nc1.O=COc1ccc(-c2ccccn2)nc1.[Co].
What is the InChIKey of cobalt;bis(6-pyridin-2-ylpyridine-3-carboxylic acid);(6-pyridin-2-yl-3-pyridinyl) formate?
The InChIKey is VMFQDHTXWRGLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H8N2O2.Co/c14-8-15-9-4-5-11(13-7-9)10-3-1-2-6-12-10;2*14-11(15)8-4-5-10(13-7-8)9-3-1-2-6-12-9;/h1-8H;2*1-7H,(H,14,15);.
What are the key properties of cobalt;bis(6-pyridin-2-ylpyridine-3-carboxylic acid);(6-pyridin-2-yl-3-pyridinyl) formate?
cobalt;bis(6-pyridin-2-ylpyridine-3-carboxylic acid);(6-pyridin-2-yl-3-pyridinyl) formate has a molecular weight of 659.52 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(6-pyridin-2-ylpyridine-3-carboxylic acid);(6-pyridin-2-yl-3-pyridinyl) formate is sourced from PubChem (CID 164736030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).