tris(6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylic acid);ruthenium

C36H24N6O12Ru2 — CID 170984222

IUPACtris(6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylic acid);ruthenium
SMILESO=C(O)c1cccc(-c2cccc(C(=O)O)n2)n1.O=C(O)c1cccc(-c2cccc(C(=O)O)n2)n1.O=C(O)c1cccc(-c2cccc(C(=O)O)n2)n1.[Ru].[Ru]
InChIInChI=1S/3C12H8N2O4.2Ru/c3*15-11(16)9-5-1-3-7(13-9)8-4-2-6-10(14-8)12(17)18;;/h3*1-6H,(H,15,16)(H,17,18);;
InChIKeyQFPWVAHAVHHBEH-UHFFFAOYSA-N
MW934.76 g/mol
LogP4.61
Rot. Bonds9

About tris(6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylic acid);ruthenium

tris(6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylic acid);ruthenium (PubChem CID 170984222) has the molecular formula C36H24N6O12Ru2 and a molecular weight of 934.76 g/mol. Its IUPAC name is tris(6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylic acid);ruthenium.

Molecular Properties

Compound Nametris(6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylic acid);ruthenium
PubChem CID170984222
Molecular FormulaC36H24N6O12Ru2
Molecular Weight934.76 g/mol
Exact Mass935.95
IUPAC Nametris(6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylic acid);ruthenium
SMILESO=C(O)c1cccc(-c2cccc(C(=O)O)n2)n1.O=C(O)c1cccc(-c2cccc(C(=O)O)n2)n1.O=C(O)c1cccc(-c2cccc(C(=O)O)n2)n1.[Ru].[Ru]
InChIInChI=1S/3C12H8N2O4.2Ru/c3*15-11(16)9-5-1-3-7(13-9)8-4-2-6-10(14-8)12(17)18;;/h3*1-6H,(H,15,16)(H,17,18);;
InChIKeyQFPWVAHAVHHBEH-UHFFFAOYSA-N
XLogP4.61
TPSA301.14 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500934.76
LogP ≤ 54.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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Related Compounds

6-[[2-[(6-Carboxy-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylic acid
CID 58567052
2,2'-Bipyridine-6,6'-dicarboxylic Acid
CID 9959961
6-[[Carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 101447146
6-[[[(1R)-1-carboxyethyl]-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 164617954
6-[[[(1S)-1-carboxyethyl]-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 164628260
[2,2':6',2''-Terpyridine]-6,6''-dicarboxylic acid
CID 22355148
6-(6-Pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylic acid
CID 90938789
6-(6-Methyl-2-pyridinyl)pyridine-2-carboxylic acid
CID 11264357
H4octapa
CID 58567075
3-[Bis(2-carboxy-6-methyl-3-pyridinyl)amino]-6-methylpyridine-2-carboxylic acid
CID 67548110
Vanadium picolinate
CID 129717522
ZINC bis(6-carboxypyridine-2-carboxylate)
CID 4309911

Frequently Asked Questions

What is the IUPAC name of tris(6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylic acid);ruthenium?
The IUPAC name of tris(6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylic acid);ruthenium (CID 170984222) is tris(6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylic acid);ruthenium.
What is the SMILES notation for tris(6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylic acid);ruthenium?
The canonical SMILES for tris(6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylic acid);ruthenium is O=C(O)c1cccc(-c2cccc(C(=O)O)n2)n1.O=C(O)c1cccc(-c2cccc(C(=O)O)n2)n1.O=C(O)c1cccc(-c2cccc(C(=O)O)n2)n1.[Ru].[Ru].
What is the InChIKey of tris(6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylic acid);ruthenium?
The InChIKey is QFPWVAHAVHHBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H8N2O4.2Ru/c3*15-11(16)9-5-1-3-7(13-9)8-4-2-6-10(14-8)12(17)18;;/h3*1-6H,(H,15,16)(H,17,18);;.
What are the key properties of tris(6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylic acid);ruthenium?
tris(6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylic acid);ruthenium has a molecular weight of 934.76 g/mol, XLogP of 4.61, 9 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylic acid);ruthenium is sourced from PubChem (CID 170984222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).