chloroform;cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate)

C26H18Cl6CoN4O4 — CID 139161483

IUPACchloroform;cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate)
SMILESClC(Cl)Cl.ClC(Cl)Cl.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Co+2].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.2C6H5NO2.2CHCl3.Co/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*8-6(9)5-3-1-2-4-7-5;2*2-1(3)4;/h1-8H;2*1-4H,(H,8,9);2*1H;/q;;;;;+2/p-2
InChIKeyZGWPJDLNUIGDFW-UHFFFAOYSA-L
MW722.11 g/mol
LogP5.64
Rot. Bonds2

About chloroform;cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate)

chloroform;cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate) (PubChem CID 139161483) has the molecular formula C26H18Cl6CoN4O4 and a molecular weight of 722.11 g/mol. Its IUPAC name is chloroform;cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate).

Molecular Properties

Compound Namechloroform;cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate)
PubChem CID139161483
Molecular FormulaC26H18Cl6CoN4O4
Molecular Weight722.11 g/mol
Exact Mass718.88
IUPAC Namechloroform;cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate)
SMILESClC(Cl)Cl.ClC(Cl)Cl.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Co+2].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.2C6H5NO2.2CHCl3.Co/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*8-6(9)5-3-1-2-4-7-5;2*2-1(3)4;/h1-8H;2*1-4H,(H,8,9);2*1H;/q;;;;;+2/p-2
InChIKeyZGWPJDLNUIGDFW-UHFFFAOYSA-L
XLogP5.64
TPSA131.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.11
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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
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
Bis[copper(I)-di-1,10-phenanthroline)]terephthalate bisperchlorate
CID 139057769

Frequently Asked Questions

What is the IUPAC name of chloroform;cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate)?
The IUPAC name of chloroform;cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate) (CID 139161483) is chloroform;cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate).
What is the SMILES notation for chloroform;cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate)?
The canonical SMILES for chloroform;cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate) is ClC(Cl)Cl.ClC(Cl)Cl.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Co+2].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of chloroform;cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate)?
The InChIKey is ZGWPJDLNUIGDFW-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8N2.2C6H5NO2.2CHCl3.Co/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*8-6(9)5-3-1-2-4-7-5;2*2-1(3)4;/h1-8H;2*1-4H,(H,8,9);2*1H;/q;;;;;+2/p-2.
What are the key properties of chloroform;cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate)?
chloroform;cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate) has a molecular weight of 722.11 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate) is sourced from PubChem (CID 139161483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).