tris(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);dichlororuthenium

C36H24Cl2N6O12Ru — CID 15879353

IUPACtris(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);dichlororuthenium
SMILESCl[Ru]Cl.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/3C12H8N2O4.2ClH.Ru/c3*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;;;/h3*1-6H,(H,15,16)(H,17,18);2*1H;/q;;;;;+2/p-2
InChIKeyGVDJZECYTFJMBQ-UHFFFAOYSA-L
MW904.59 g/mol
LogP6.00
Rot. Bonds9

About tris(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);dichlororuthenium

tris(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);dichlororuthenium (PubChem CID 15879353) has the molecular formula C36H24Cl2N6O12Ru and a molecular weight of 904.59 g/mol. Its IUPAC name is tris(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);dichlororuthenium.

Molecular Properties

Compound Nametris(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);dichlororuthenium
PubChem CID15879353
Molecular FormulaC36H24Cl2N6O12Ru
Molecular Weight904.59 g/mol
Exact Mass903.99
IUPAC Nametris(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);dichlororuthenium
SMILESCl[Ru]Cl.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/3C12H8N2O4.2ClH.Ru/c3*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;;;/h3*1-6H,(H,15,16)(H,17,18);2*1H;/q;;;;;+2/p-2
InChIKeyGVDJZECYTFJMBQ-UHFFFAOYSA-L
XLogP6.00
TPSA301.14 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500904.59
LogP ≤ 56.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of tris(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);dichlororuthenium?
The IUPAC name of tris(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);dichlororuthenium (CID 15879353) is tris(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);dichlororuthenium.
What is the SMILES notation for tris(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);dichlororuthenium?
The canonical SMILES for tris(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);dichlororuthenium is Cl[Ru]Cl.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.
What is the InChIKey of tris(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);dichlororuthenium?
The InChIKey is GVDJZECYTFJMBQ-UHFFFAOYSA-L. The full InChI is InChI=1S/3C12H8N2O4.2ClH.Ru/c3*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;;;/h3*1-6H,(H,15,16)(H,17,18);2*1H;/q;;;;;+2/p-2.
What are the key properties of tris(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);dichlororuthenium?
tris(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);dichlororuthenium has a molecular weight of 904.59 g/mol, XLogP of 6.00, 9 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);dichlororuthenium is sourced from PubChem (CID 15879353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).