4-ethoxy-2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(2+);hydrate

C27H25N5O2Ru+2 — CID 139249259

IUPAC4-ethoxy-2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(2+);hydrate
SMILESCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1.O.[Ru+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C17H15N3O.C10H8N2.H2O.Ru/c1-2-21-13-11-16(14-7-3-5-9-18-14)20-17(12-13)15-8-4-6-10-19-15;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h3-12H,2H2,1H3;1-8H;1H2;/q;;;+2
InChIKeyUQRKQWMHCVGOTG-UHFFFAOYSA-N
MW552.60 g/mol
LogP4.92
Rot. Bonds5

About 4-ethoxy-2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(2+);hydrate

4-ethoxy-2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(2+);hydrate (PubChem CID 139249259) has the molecular formula C27H25N5O2Ru+2 and a molecular weight of 552.60 g/mol. Its IUPAC name is 4-ethoxy-2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(2+);hydrate.

Molecular Properties

Compound Name4-ethoxy-2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(2+);hydrate
PubChem CID139249259
Molecular FormulaC27H25N5O2Ru+2
Molecular Weight552.60 g/mol
Exact Mass553.10
IUPAC Name4-ethoxy-2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(2+);hydrate
SMILESCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1.O.[Ru+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C17H15N3O.C10H8N2.H2O.Ru/c1-2-21-13-11-16(14-7-3-5-9-18-14)20-17(12-13)15-8-4-6-10-19-15;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h3-12H,2H2,1H3;1-8H;1H2;/q;;;+2
InChIKeyUQRKQWMHCVGOTG-UHFFFAOYSA-N
XLogP4.92
TPSA105.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.60
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-ethoxy-2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(2+);hydrate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(2+);hydrate?
The IUPAC name of 4-ethoxy-2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(2+);hydrate (CID 139249259) is 4-ethoxy-2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(2+);hydrate.
What is the SMILES notation for 4-ethoxy-2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(2+);hydrate?
The canonical SMILES for 4-ethoxy-2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(2+);hydrate is CCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1.O.[Ru+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 4-ethoxy-2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(2+);hydrate?
The InChIKey is UQRKQWMHCVGOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O.C10H8N2.H2O.Ru/c1-2-21-13-11-16(14-7-3-5-9-18-14)20-17(12-13)15-8-4-6-10-19-15;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h3-12H,2H2,1H3;1-8H;1H2;/q;;;+2.
What are the key properties of 4-ethoxy-2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(2+);hydrate?
4-ethoxy-2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(2+);hydrate has a molecular weight of 552.60 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(2+);hydrate is sourced from PubChem (CID 139249259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).