2,3-dipyridin-2-ylpyridine;hydroxymethanone;ruthenium(3+)

C18H14N3O6Ru — CID 87404819

IUPAC2,3-dipyridin-2-ylpyridine;hydroxymethanone;ruthenium(3+)
SMILESO=[C-]O.O=[C-]O.O=[C-]O.[Ru+3].c1ccc(-c2cccnc2-c2ccccn2)nc1
InChIInChI=1S/C15H11N3.3CHO2.Ru/c1-3-9-16-13(7-1)12-6-5-11-18-15(12)14-8-2-4-10-17-14;3*2-1-3;/h1-11H;3*(H,2,3);/q;3*-1;+3
InChIKeyHLLNRQFYIRGGBA-UHFFFAOYSA-N
MW469.40 g/mol
LogP2.04
Rot. Bonds2

About 2,3-dipyridin-2-ylpyridine;hydroxymethanone;ruthenium(3+)

2,3-dipyridin-2-ylpyridine;hydroxymethanone;ruthenium(3+) (PubChem CID 87404819) has the molecular formula C18H14N3O6Ru and a molecular weight of 469.40 g/mol. Its IUPAC name is 2,3-dipyridin-2-ylpyridine;hydroxymethanone;ruthenium(3+).

Molecular Properties

Compound Name2,3-dipyridin-2-ylpyridine;hydroxymethanone;ruthenium(3+)
PubChem CID87404819
Molecular FormulaC18H14N3O6Ru
Molecular Weight469.40 g/mol
Exact Mass469.99
IUPAC Name2,3-dipyridin-2-ylpyridine;hydroxymethanone;ruthenium(3+)
SMILESO=[C-]O.O=[C-]O.O=[C-]O.[Ru+3].c1ccc(-c2cccnc2-c2ccccn2)nc1
InChIInChI=1S/C15H11N3.3CHO2.Ru/c1-3-9-16-13(7-1)12-6-5-11-18-15(12)14-8-2-4-10-17-14;3*2-1-3;/h1-11H;3*(H,2,3);/q;3*-1;+3
InChIKeyHLLNRQFYIRGGBA-UHFFFAOYSA-N
XLogP2.04
TPSA150.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.40
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dipyridin-2-ylpyridine;hydroxymethanone;ruthenium(3+)?
The IUPAC name of 2,3-dipyridin-2-ylpyridine;hydroxymethanone;ruthenium(3+) (CID 87404819) is 2,3-dipyridin-2-ylpyridine;hydroxymethanone;ruthenium(3+).
What is the SMILES notation for 2,3-dipyridin-2-ylpyridine;hydroxymethanone;ruthenium(3+)?
The canonical SMILES for 2,3-dipyridin-2-ylpyridine;hydroxymethanone;ruthenium(3+) is O=[C-]O.O=[C-]O.O=[C-]O.[Ru+3].c1ccc(-c2cccnc2-c2ccccn2)nc1.
What is the InChIKey of 2,3-dipyridin-2-ylpyridine;hydroxymethanone;ruthenium(3+)?
The InChIKey is HLLNRQFYIRGGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3.3CHO2.Ru/c1-3-9-16-13(7-1)12-6-5-11-18-15(12)14-8-2-4-10-17-14;3*2-1-3;/h1-11H;3*(H,2,3);/q;3*-1;+3.
What are the key properties of 2,3-dipyridin-2-ylpyridine;hydroxymethanone;ruthenium(3+)?
2,3-dipyridin-2-ylpyridine;hydroxymethanone;ruthenium(3+) has a molecular weight of 469.40 g/mol, XLogP of 2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dipyridin-2-ylpyridine;hydroxymethanone;ruthenium(3+) is sourced from PubChem (CID 87404819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).