tetrakis(6-chloropyridin-2-ol);ethene;ethylideneazanide;ruthenium;ruthenium(1+)

C24H24Cl4N5O4Ru2 — CID 156580248

IUPACtetrakis(6-chloropyridin-2-ol);ethene;ethylideneazanide;ruthenium;ruthenium(1+)
SMILESC=C.CC=[N-].Oc1cccc(Cl)n1.Oc1cccc(Cl)n1.Oc1cccc(Cl)n1.Oc1cccc(Cl)n1.[Ru+].[Ru]
InChIInChI=1S/4C5H4ClNO.C2H4N.C2H4.2Ru/c4*6-4-2-1-3-5(8)7-4;1-2-3;1-2;;/h4*1-3H,(H,7,8);2H,1H3;1-2H2;;/q;;;;-1;;;+1
InChIKeyIATPZNJHZFZXIY-UHFFFAOYSA-N
MW790.44 g/mol
LogP7.21
Rot. Bonds

About tetrakis(6-chloropyridin-2-ol);ethene;ethylideneazanide;ruthenium;ruthenium(1+)

tetrakis(6-chloropyridin-2-ol);ethene;ethylideneazanide;ruthenium;ruthenium(1+) (PubChem CID 156580248) has the molecular formula C24H24Cl4N5O4Ru2 and a molecular weight of 790.44 g/mol. Its IUPAC name is tetrakis(6-chloropyridin-2-ol);ethene;ethylideneazanide;ruthenium;ruthenium(1+).

Molecular Properties

Compound Nametetrakis(6-chloropyridin-2-ol);ethene;ethylideneazanide;ruthenium;ruthenium(1+)
PubChem CID156580248
Molecular FormulaC24H24Cl4N5O4Ru2
Molecular Weight790.44 g/mol
Exact Mass789.87
IUPAC Nametetrakis(6-chloropyridin-2-ol);ethene;ethylideneazanide;ruthenium;ruthenium(1+)
SMILESC=C.CC=[N-].Oc1cccc(Cl)n1.Oc1cccc(Cl)n1.Oc1cccc(Cl)n1.Oc1cccc(Cl)n1.[Ru+].[Ru]
InChIInChI=1S/4C5H4ClNO.C2H4N.C2H4.2Ru/c4*6-4-2-1-3-5(8)7-4;1-2-3;1-2;;/h4*1-3H,(H,7,8);2H,1H3;1-2H2;;/q;;;;-1;;;+1
InChIKeyIATPZNJHZFZXIY-UHFFFAOYSA-N
XLogP7.21
TPSA154.78 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.44
LogP ≤ 57.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis(6-chloropyridin-2-ol);ethene;ethylideneazanide;ruthenium;ruthenium(1+)?
The IUPAC name of tetrakis(6-chloropyridin-2-ol);ethene;ethylideneazanide;ruthenium;ruthenium(1+) (CID 156580248) is tetrakis(6-chloropyridin-2-ol);ethene;ethylideneazanide;ruthenium;ruthenium(1+).
What is the SMILES notation for tetrakis(6-chloropyridin-2-ol);ethene;ethylideneazanide;ruthenium;ruthenium(1+)?
The canonical SMILES for tetrakis(6-chloropyridin-2-ol);ethene;ethylideneazanide;ruthenium;ruthenium(1+) is C=C.CC=[N-].Oc1cccc(Cl)n1.Oc1cccc(Cl)n1.Oc1cccc(Cl)n1.Oc1cccc(Cl)n1.[Ru+].[Ru].
What is the InChIKey of tetrakis(6-chloropyridin-2-ol);ethene;ethylideneazanide;ruthenium;ruthenium(1+)?
The InChIKey is IATPZNJHZFZXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C5H4ClNO.C2H4N.C2H4.2Ru/c4*6-4-2-1-3-5(8)7-4;1-2-3;1-2;;/h4*1-3H,(H,7,8);2H,1H3;1-2H2;;/q;;;;-1;;;+1.
What are the key properties of tetrakis(6-chloropyridin-2-ol);ethene;ethylideneazanide;ruthenium;ruthenium(1+)?
tetrakis(6-chloropyridin-2-ol);ethene;ethylideneazanide;ruthenium;ruthenium(1+) has a molecular weight of 790.44 g/mol, XLogP of 7.21, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(6-chloropyridin-2-ol);ethene;ethylideneazanide;ruthenium;ruthenium(1+) is sourced from PubChem (CID 156580248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).