cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis(pyridine-2-carboxylate)

C26H16CoN6O4 — CID 139155959

IUPACcobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis(pyridine-2-carboxylate)
SMILESO=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Co+2].c1cnc2c(c1)c1nccnc1c1cccnc12
InChIInChI=1S/C14H8N4.2C6H5NO2.Co/c1-3-9-11(15-5-1)12-10(4-2-6-16-12)14-13(9)17-7-8-18-14;2*8-6(9)5-3-1-2-4-7-5;/h1-8H;2*1-4H,(H,8,9);/q;;;+2/p-2
InChIKeyPLBAHLBWGKYGOZ-UHFFFAOYSA-L
MW535.39 g/mol
LogP1.61
Rot. Bonds2

About cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis(pyridine-2-carboxylate)

cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis(pyridine-2-carboxylate) (PubChem CID 139155959) has the molecular formula C26H16CoN6O4 and a molecular weight of 535.39 g/mol. Its IUPAC name is cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis(pyridine-2-carboxylate).

Molecular Properties

Compound Namecobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis(pyridine-2-carboxylate)
PubChem CID139155959
Molecular FormulaC26H16CoN6O4
Molecular Weight535.39 g/mol
Exact Mass535.06
IUPAC Namecobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis(pyridine-2-carboxylate)
SMILESO=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Co+2].c1cnc2c(c1)c1nccnc1c1cccnc12
InChIInChI=1S/C14H8N4.2C6H5NO2.Co/c1-3-9-11(15-5-1)12-10(4-2-6-16-12)14-13(9)17-7-8-18-14;2*8-6(9)5-3-1-2-4-7-5;/h1-8H;2*1-4H,(H,8,9);/q;;;+2/p-2
InChIKeyPLBAHLBWGKYGOZ-UHFFFAOYSA-L
XLogP1.61
TPSA157.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.39
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,6-Dipyridin-2-ylpyridine;1,10-phenanthroline-2-carboxylate;ruthenium(2+);trifluoromethanesulfonate;hydrate
CID 139148517
Pyrazino[2,3-f][1,10]phenanthroline-7,10-dicarboxylic acid
CID 10829488
1,10-Phenanthrolin-10-ium; pyridine-2,6-dicarboxylate
CID 71597283
Iron(II) phenanthrolinate
CID 14491537
ZINC phenanthrolinate
CID 129680858
Copper phenanthrolinate
CID 129735529
Copper(i) bis(1,10-phenanthrolinate)
CID 129761104
Iron(III) tris-(1,10-phenanthrolinate)
CID 129761151
Ruthenium phenanthrolinate
CID 129801043
Cadmium phenanthrolinate
CID 129818634
Iron(II) tris-(1,10-phenanthrolinate) perchlorate
CID 129849860
Dicopper;bis(dipyridin-2-ylmethanone);bis(methoxy(dipyridin-2-yl)methanolate);bis(1,10-phenanthroline);diperchlorate
CID 139036925

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis(pyridine-2-carboxylate)?
The IUPAC name of cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis(pyridine-2-carboxylate) (CID 139155959) is cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis(pyridine-2-carboxylate).
What is the SMILES notation for cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis(pyridine-2-carboxylate)?
The canonical SMILES for cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis(pyridine-2-carboxylate) is O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Co+2].c1cnc2c(c1)c1nccnc1c1cccnc12.
What is the InChIKey of cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis(pyridine-2-carboxylate)?
The InChIKey is PLBAHLBWGKYGOZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H8N4.2C6H5NO2.Co/c1-3-9-11(15-5-1)12-10(4-2-6-16-12)14-13(9)17-7-8-18-14;2*8-6(9)5-3-1-2-4-7-5;/h1-8H;2*1-4H,(H,8,9);/q;;;+2/p-2.
What are the key properties of cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis(pyridine-2-carboxylate)?
cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis(pyridine-2-carboxylate) has a molecular weight of 535.39 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis(pyridine-2-carboxylate) is sourced from PubChem (CID 139155959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).