copper;3,4-dichloro-1H-1,10-phenanthrolin-2-one

C12H6Cl2CuN2O — CID 69447685

IUPACcopper;3,4-dichloro-1H-1,10-phenanthrolin-2-one
SMILESO=c1[nH]c2c(ccc3cccnc32)c(Cl)c1Cl.[Cu]
InChIInChI=1S/C12H6Cl2N2O.Cu/c13-8-7-4-3-6-2-1-5-15-10(6)11(7)16-12(17)9(8)14;/h1-5H,(H,16,17);
InChIKeyVYUMBUKLCTZWMC-UHFFFAOYSA-N
MW328.65 g/mol
LogP3.38
Rot. Bonds

About copper;3,4-dichloro-1H-1,10-phenanthrolin-2-one

copper;3,4-dichloro-1H-1,10-phenanthrolin-2-one (PubChem CID 69447685) has the molecular formula C12H6Cl2CuN2O and a molecular weight of 328.65 g/mol. Its IUPAC name is copper;3,4-dichloro-1H-1,10-phenanthrolin-2-one.

Molecular Properties

Compound Namecopper;3,4-dichloro-1H-1,10-phenanthrolin-2-one
PubChem CID69447685
Molecular FormulaC12H6Cl2CuN2O
Molecular Weight328.65 g/mol
Exact Mass326.92
IUPAC Namecopper;3,4-dichloro-1H-1,10-phenanthrolin-2-one
SMILESO=c1[nH]c2c(ccc3cccnc32)c(Cl)c1Cl.[Cu]
InChIInChI=1S/C12H6Cl2N2O.Cu/c13-8-7-4-3-6-2-1-5-15-10(6)11(7)16-12(17)9(8)14;/h1-5H,(H,16,17);
InChIKeyVYUMBUKLCTZWMC-UHFFFAOYSA-N
XLogP3.38
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.65
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze copper;3,4-dichloro-1H-1,10-phenanthrolin-2-one 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

4,8-dithia-11,14-diazapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1(12),2(9),3(7),5,13(18),14,16,19-octaen-10-one
CID 10804749
1H-pyrido[3,2-h]quinoxalin-2-one
CID 69471566
1H-1,10-phenanthroline-2-thione
CID 12830238
europium;1,10-phenanthroline
CID 20606755
CID 58385596
CID 58385596
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
bis(1,10-phenanthroline);ruthenium
CID 15001085
8-chloroquinoline;ethane
CID 142246255
iron(2+);2,3,4,5,6-pentachlorophenol;1,10-phenanthroline
CID 158371036

Frequently Asked Questions

What is the IUPAC name of copper;3,4-dichloro-1H-1,10-phenanthrolin-2-one?
The IUPAC name of copper;3,4-dichloro-1H-1,10-phenanthrolin-2-one (CID 69447685) is copper;3,4-dichloro-1H-1,10-phenanthrolin-2-one.
What is the SMILES notation for copper;3,4-dichloro-1H-1,10-phenanthrolin-2-one?
The canonical SMILES for copper;3,4-dichloro-1H-1,10-phenanthrolin-2-one is O=c1[nH]c2c(ccc3cccnc32)c(Cl)c1Cl.[Cu].
What is the InChIKey of copper;3,4-dichloro-1H-1,10-phenanthrolin-2-one?
The InChIKey is VYUMBUKLCTZWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O.Cu/c13-8-7-4-3-6-2-1-5-15-10(6)11(7)16-12(17)9(8)14;/h1-5H,(H,16,17);.
What are the key properties of copper;3,4-dichloro-1H-1,10-phenanthrolin-2-one?
copper;3,4-dichloro-1H-1,10-phenanthrolin-2-one has a molecular weight of 328.65 g/mol, XLogP of 3.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;3,4-dichloro-1H-1,10-phenanthrolin-2-one is sourced from PubChem (CID 69447685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).