2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid)

C36H24CoN6O12+3 — CID 140694724

IUPAC2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid)
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.[Co+3]
InChIInChI=1S/3C12H8N2O4.Co/c2*15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;/h2*1-7H,(H,16,17);1-6H,(H,15,16)(H,17,18);/q;;;+3
InChIKeyLAYAOKXLUPPIJV-UHFFFAOYSA-N
MW791.55 g/mol
LogP4.29
Rot. Bonds11

About 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid)

2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid) (PubChem CID 140694724) has the molecular formula C36H24CoN6O12+3 and a molecular weight of 791.55 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid).

Molecular Properties

Compound Name2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid)
PubChem CID140694724
Molecular FormulaC36H24CoN6O12+3
Molecular Weight791.55 g/mol
Exact Mass791.08
IUPAC Name2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid)
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.[Co+3]
InChIInChI=1S/3C12H8N2O4.Co/c2*15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;/h2*1-7H,(H,16,17);1-6H,(H,15,16)(H,17,18);/q;;;+3
InChIKeyLAYAOKXLUPPIJV-UHFFFAOYSA-N
XLogP4.29
TPSA279.14 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.55
LogP ≤ 54.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

Cis-bis(thiocyanato)(2,2'-bipyridyl-4,4'-dicarboxylic acid)(4,4'-bis(phexyloxystyryl)-2,2'-bipyridine)ruthenium(II)
CID 155905579
2-(4-Carboxylato-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 168344486
bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);5-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrazol-1-ide;ruthenium(1+)
CID 149077742
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;methyl 2-(4-methoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate
CID 171721110
bis(4,4'-dimethyl-2,2'-bipyridine)(4,4'-dicarboxylic acid-2,2'-bipyridine)ruthenium(II) bis(hexafluorophosphate)
CID 131709246
Bis[4'-(furan-2-yl)-2,2':6',2''-terpyridine]nickel(II) dichloride decahydrate
CID 139088388
Ethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);ditriiodide
CID 139138496
Cobalt(iii) tris(2,2'-bipyridine-4,4'-dicarboxylic acid) hexahydrate
CID 139155514
Ru(H2dcbpy)2(dcbpy).6(H2O)
CID 168342882
Ir-Cooh
CID 122164858
Bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide
CID 18339145
2-(4-Carboxy-2-pyridinyl)-6-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylic acid
CID 18345669

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid)?
The IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid) (CID 140694724) is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid).
What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid)?
The canonical SMILES for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid) is O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.[Co+3].
What is the InChIKey of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid)?
The InChIKey is LAYAOKXLUPPIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H8N2O4.Co/c2*15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;/h2*1-7H,(H,16,17);1-6H,(H,15,16)(H,17,18);/q;;;+3.
What are the key properties of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid)?
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid) has a molecular weight of 791.55 g/mol, XLogP of 4.29, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid) is sourced from PubChem (CID 140694724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).