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

C24H18CoN4O5 — CID 139161484

IUPACcobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate);hydrate
SMILESO.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Co+2].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.2C6H5NO2.Co.H2O/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;;/h1-8H;2*1-4H,(H,8,9);;1H2/q;;;+2;/p-2
InChIKeyPVSQRTRRGXZZHP-UHFFFAOYSA-L
MW501.36 g/mol
LogP0.85
Rot. Bonds2

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

cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate);hydrate (PubChem CID 139161484) has the molecular formula C24H18CoN4O5 and a molecular weight of 501.36 g/mol. Its IUPAC name is cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate);hydrate.

Molecular Properties

Compound Namecobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate);hydrate
PubChem CID139161484
Molecular FormulaC24H18CoN4O5
Molecular Weight501.36 g/mol
Exact Mass501.06
IUPAC Namecobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate);hydrate
SMILESO.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Co+2].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.2C6H5NO2.Co.H2O/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;;/h1-8H;2*1-4H,(H,8,9);;1H2/q;;;+2;/p-2
InChIKeyPVSQRTRRGXZZHP-UHFFFAOYSA-L
XLogP0.85
TPSA163.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.36
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1,10-Phenanthroline-2-carboxylic acid
CID 99561
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
2-(4-Methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;pyridine-2-carboxylic acid
CID 58389305
Iridium;pyridine-2-carboxylic acid;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline
CID 59227835
Platinum;pyridine-2-carboxylic acid;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline
CID 59722351
Iridium;2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pyridine-2-carboxylic acid
CID 91866273
1,10-Phenanthrolin-10-ium; pyridine-2,6-dicarboxylate
CID 71597283
Iron(II) phenanthrolinate
CID 14491537
Ru(II)(bda)(isoq)2
CID 56835789
ZINC phenanthrolinate
CID 129680858
Copper phenanthrolinate
CID 129735529

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate);hydrate?
The IUPAC name of cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate);hydrate (CID 139161484) is cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate);hydrate.
What is the SMILES notation for cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate);hydrate?
The canonical SMILES for cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate);hydrate is O.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Co+2].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate);hydrate?
The InChIKey is PVSQRTRRGXZZHP-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8N2.2C6H5NO2.Co.H2O/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;;/h1-8H;2*1-4H,(H,8,9);;1H2/q;;;+2;/p-2.
What are the key properties of cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate);hydrate?
cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate);hydrate has a molecular weight of 501.36 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate);hydrate is sourced from PubChem (CID 139161484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).