cobalt(2+);bis(9-(dihydroxymethyl)-1,10-phenanthroline-2-carboxylate);hydrate

C28H20CoN4O9 — CID 139055104

IUPACcobalt(2+);bis(9-(dihydroxymethyl)-1,10-phenanthroline-2-carboxylate);hydrate
SMILESO.O=C([O-])c1ccc2ccc3ccc(C(O)O)nc3c2n1.O=C([O-])c1ccc2ccc3ccc(C(O)O)nc3c2n1.[Co+2]
InChIInChI=1S/2C14H10N2O4.Co.H2O/c2*17-13(18)9-5-3-7-1-2-8-4-6-10(14(19)20)16-12(8)11(7)15-9;;/h2*1-6,13,17-18H,(H,19,20);;1H2/q;;+2;/p-2
InChIKeyCHZVTFPOWODSIZ-UHFFFAOYSA-L
MW615.42 g/mol
LogP-0.57
Rot. Bonds4

About cobalt(2+);bis(9-(dihydroxymethyl)-1,10-phenanthroline-2-carboxylate);hydrate

cobalt(2+);bis(9-(dihydroxymethyl)-1,10-phenanthroline-2-carboxylate);hydrate (PubChem CID 139055104) has the molecular formula C28H20CoN4O9 and a molecular weight of 615.42 g/mol. Its IUPAC name is cobalt(2+);bis(9-(dihydroxymethyl)-1,10-phenanthroline-2-carboxylate);hydrate.

Molecular Properties

Compound Namecobalt(2+);bis(9-(dihydroxymethyl)-1,10-phenanthroline-2-carboxylate);hydrate
PubChem CID139055104
Molecular FormulaC28H20CoN4O9
Molecular Weight615.42 g/mol
Exact Mass615.06
IUPAC Namecobalt(2+);bis(9-(dihydroxymethyl)-1,10-phenanthroline-2-carboxylate);hydrate
SMILESO.O=C([O-])c1ccc2ccc3ccc(C(O)O)nc3c2n1.O=C([O-])c1ccc2ccc3ccc(C(O)O)nc3c2n1.[Co+2]
InChIInChI=1S/2C14H10N2O4.Co.H2O/c2*17-13(18)9-5-3-7-1-2-8-4-6-10(14(19)20)16-12(8)11(7)15-9;;/h2*1-6,13,17-18H,(H,19,20);;1H2/q;;+2;/p-2
InChIKeyCHZVTFPOWODSIZ-UHFFFAOYSA-L
XLogP-0.57
TPSA244.24 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.42
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze cobalt(2+);bis(9-(dihydroxymethyl)-1,10-phenanthroline-2-carboxylate);hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-Dipyridin-2-ylpyridine;1,10-phenanthroline-2-carboxylate;ruthenium(2+);trifluoromethanesulfonate;hydrate
CID 139148517
(2,9-Dimethyl-1,10-phenanthroline-kappa^2^,N.N')(dipicolinato-kappa^3^O^2^,N,O^6^)copper(II) trihydrate
CID 139059698
2,9-Dimethyl-1,10-phenanthrolinium bis(pyridine-2,6-dicarboxylato-kappa^3^O,N,O')ferrate(III) dihydrate
CID 139072170
(2,9-Dimethyl-1,10-phenanthroline)(4-hydroxypyridine-2,6-dicarboxylato)copper(II) trihydrate
CID 139076866
Bis(ethanamidinium) (1,10-phenanthroline-2,9-dicarboxylato)manganate(II) heptahydrate
CID 139085032
Pentakis(cobalt(2+));cobalt(3+);hexakis(1,10-phenanthroline-2,9-dicarboxylate);chloride
CID 139089141
Bis(1,10-phenanthroline-2,9-dicarboxylate);thorium(4+);trihydrate
CID 139127545
Cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate);hydrate
CID 139161484
Bis(dimethyl 1,10-phenanthroline-2,9-dicarboxylate);iron(2+);diperchlorate;dihydrate
CID 139187413
Tetracopper;tetrakis(6-carboxypyridine-2-carboxylate);bis(1,10-phenanthroline);bis(pyridine-2,6-dicarboxylate);undecahydrate
CID 139197745
aqua(1,10-phenanthroline-kappa^2^N,N')(pyridine-2,6-dicarboxylato-kappa^3^O^2^,N,O^6^)manganese(II) monohydrate
CID 168307777
Dioxidanium;ethanol;bis(oxygen(2-));tetrakis(quinoline-2-carboxylate);bis(vanadium(4+))
CID 168308610

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(9-(dihydroxymethyl)-1,10-phenanthroline-2-carboxylate);hydrate?
The IUPAC name of cobalt(2+);bis(9-(dihydroxymethyl)-1,10-phenanthroline-2-carboxylate);hydrate (CID 139055104) is cobalt(2+);bis(9-(dihydroxymethyl)-1,10-phenanthroline-2-carboxylate);hydrate.
What is the SMILES notation for cobalt(2+);bis(9-(dihydroxymethyl)-1,10-phenanthroline-2-carboxylate);hydrate?
The canonical SMILES for cobalt(2+);bis(9-(dihydroxymethyl)-1,10-phenanthroline-2-carboxylate);hydrate is O.O=C([O-])c1ccc2ccc3ccc(C(O)O)nc3c2n1.O=C([O-])c1ccc2ccc3ccc(C(O)O)nc3c2n1.[Co+2].
What is the InChIKey of cobalt(2+);bis(9-(dihydroxymethyl)-1,10-phenanthroline-2-carboxylate);hydrate?
The InChIKey is CHZVTFPOWODSIZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H10N2O4.Co.H2O/c2*17-13(18)9-5-3-7-1-2-8-4-6-10(14(19)20)16-12(8)11(7)15-9;;/h2*1-6,13,17-18H,(H,19,20);;1H2/q;;+2;/p-2.
What are the key properties of cobalt(2+);bis(9-(dihydroxymethyl)-1,10-phenanthroline-2-carboxylate);hydrate?
cobalt(2+);bis(9-(dihydroxymethyl)-1,10-phenanthroline-2-carboxylate);hydrate has a molecular weight of 615.42 g/mol, XLogP of -0.57, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(9-(dihydroxymethyl)-1,10-phenanthroline-2-carboxylate);hydrate is sourced from PubChem (CID 139055104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).