dichlororuthenium;tris(pyridin-2-ylmethyl)azanium;perchlorate

C18H19Cl3N4O4Ru — CID 11827856

IUPACdichlororuthenium;tris(pyridin-2-ylmethyl)azanium;perchlorate
SMILESCl[Ru]Cl.[O-][Cl+3]([O-])([O-])[O-].c1ccc(C[NH+](Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/C18H18N4.ClHO4.2ClH.Ru/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;2-1(3,4)5;;;/h1-12H,13-15H2;(H,2,3,4,5);2*1H;/q;;;;+2/p-2
InChIKeyPEHHTBOVJRFAJQ-UHFFFAOYSA-L
MW562.80 g/mol
LogP-1.72
Rot. Bonds6

About dichlororuthenium;tris(pyridin-2-ylmethyl)azanium;perchlorate

dichlororuthenium;tris(pyridin-2-ylmethyl)azanium;perchlorate (PubChem CID 11827856) has the molecular formula C18H19Cl3N4O4Ru and a molecular weight of 562.80 g/mol. Its IUPAC name is dichlororuthenium;tris(pyridin-2-ylmethyl)azanium;perchlorate.

Molecular Properties

Compound Namedichlororuthenium;tris(pyridin-2-ylmethyl)azanium;perchlorate
PubChem CID11827856
Molecular FormulaC18H19Cl3N4O4Ru
Molecular Weight562.80 g/mol
Exact Mass561.95
IUPAC Namedichlororuthenium;tris(pyridin-2-ylmethyl)azanium;perchlorate
SMILESCl[Ru]Cl.[O-][Cl+3]([O-])([O-])[O-].c1ccc(C[NH+](Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/C18H18N4.ClHO4.2ClH.Ru/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;2-1(3,4)5;;;/h1-12H,13-15H2;(H,2,3,4,5);2*1H;/q;;;;+2/p-2
InChIKeyPEHHTBOVJRFAJQ-UHFFFAOYSA-L
XLogP-1.72
TPSA135.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.80
LogP ≤ 5-1.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;tris(pyridin-2-ylmethyl)azanium;perchlorate?
The IUPAC name of dichlororuthenium;tris(pyridin-2-ylmethyl)azanium;perchlorate (CID 11827856) is dichlororuthenium;tris(pyridin-2-ylmethyl)azanium;perchlorate.
What is the SMILES notation for dichlororuthenium;tris(pyridin-2-ylmethyl)azanium;perchlorate?
The canonical SMILES for dichlororuthenium;tris(pyridin-2-ylmethyl)azanium;perchlorate is Cl[Ru]Cl.[O-][Cl+3]([O-])([O-])[O-].c1ccc(C[NH+](Cc2ccccn2)Cc2ccccn2)nc1.
What is the InChIKey of dichlororuthenium;tris(pyridin-2-ylmethyl)azanium;perchlorate?
The InChIKey is PEHHTBOVJRFAJQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H18N4.ClHO4.2ClH.Ru/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;2-1(3,4)5;;;/h1-12H,13-15H2;(H,2,3,4,5);2*1H;/q;;;;+2/p-2.
What are the key properties of dichlororuthenium;tris(pyridin-2-ylmethyl)azanium;perchlorate?
dichlororuthenium;tris(pyridin-2-ylmethyl)azanium;perchlorate has a molecular weight of 562.80 g/mol, XLogP of -1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;tris(pyridin-2-ylmethyl)azanium;perchlorate is sourced from PubChem (CID 11827856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).