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

C30H18CoN6O4 — CID 139155958

IUPACcobalt(2+);bis(pyridine-2-carboxylate);quinoxalino[2,3-f][1,10]phenanthroline
SMILESO=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Co+2].c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
InChIInChI=1S/C18H10N4.2C6H5NO2.Co/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;2*8-6(9)5-3-1-2-4-7-5;/h1-10H;2*1-4H,(H,8,9);/q;;;+2/p-2
InChIKeyUILPDSUBERQGHM-UHFFFAOYSA-L
MW585.45 g/mol
LogP2.77
Rot. Bonds2

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

cobalt(2+);bis(pyridine-2-carboxylate);quinoxalino[2,3-f][1,10]phenanthroline (PubChem CID 139155958) has the molecular formula C30H18CoN6O4 and a molecular weight of 585.45 g/mol. Its IUPAC name is cobalt(2+);bis(pyridine-2-carboxylate);quinoxalino[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Namecobalt(2+);bis(pyridine-2-carboxylate);quinoxalino[2,3-f][1,10]phenanthroline
PubChem CID139155958
Molecular FormulaC30H18CoN6O4
Molecular Weight585.45 g/mol
Exact Mass585.07
IUPAC Namecobalt(2+);bis(pyridine-2-carboxylate);quinoxalino[2,3-f][1,10]phenanthroline
SMILESO=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Co+2].c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
InChIInChI=1S/C18H10N4.2C6H5NO2.Co/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;2*8-6(9)5-3-1-2-4-7-5;/h1-10H;2*1-4H,(H,8,9);/q;;;+2/p-2
InChIKeyUILPDSUBERQGHM-UHFFFAOYSA-L
XLogP2.77
TPSA157.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.45
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'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+);bis(pyridine-2-carboxylate);quinoxalino[2,3-f][1,10]phenanthroline?
The IUPAC name of cobalt(2+);bis(pyridine-2-carboxylate);quinoxalino[2,3-f][1,10]phenanthroline (CID 139155958) is cobalt(2+);bis(pyridine-2-carboxylate);quinoxalino[2,3-f][1,10]phenanthroline.
What is the SMILES notation for cobalt(2+);bis(pyridine-2-carboxylate);quinoxalino[2,3-f][1,10]phenanthroline?
The canonical SMILES for cobalt(2+);bis(pyridine-2-carboxylate);quinoxalino[2,3-f][1,10]phenanthroline is O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Co+2].c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.
What is the InChIKey of cobalt(2+);bis(pyridine-2-carboxylate);quinoxalino[2,3-f][1,10]phenanthroline?
The InChIKey is UILPDSUBERQGHM-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H10N4.2C6H5NO2.Co/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;2*8-6(9)5-3-1-2-4-7-5;/h1-10H;2*1-4H,(H,8,9);/q;;;+2/p-2.
What are the key properties of cobalt(2+);bis(pyridine-2-carboxylate);quinoxalino[2,3-f][1,10]phenanthroline?
cobalt(2+);bis(pyridine-2-carboxylate);quinoxalino[2,3-f][1,10]phenanthroline has a molecular weight of 585.45 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(pyridine-2-carboxylate);quinoxalino[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 139155958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).