bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium

C26H18N4O12Ru — CID 11982105

IUPACbis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
SMILESO=C(O)C(=O)O.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru]
InChIInChI=1S/2C12H8N2O4.C2H2O4.Ru/c2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;3-1(4)2(5)6;/h2*1-6H,(H,15,16)(H,17,18);(H,3,4)(H,5,6);
InChIKeyHDYHAZTTYPZUTL-UHFFFAOYSA-N
MW679.52 g/mol
LogP2.23
Rot. Bonds6

About bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium

bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium (PubChem CID 11982105) has the molecular formula C26H18N4O12Ru and a molecular weight of 679.52 g/mol. Its IUPAC name is bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium.

Molecular Properties

Compound Namebis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
PubChem CID11982105
Molecular FormulaC26H18N4O12Ru
Molecular Weight679.52 g/mol
Exact Mass680.00
IUPAC Namebis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
SMILESO=C(O)C(=O)O.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru]
InChIInChI=1S/2C12H8N2O4.C2H2O4.Ru/c2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;3-1(4)2(5)6;/h2*1-6H,(H,15,16)(H,17,18);(H,3,4)(H,5,6);
InChIKeyHDYHAZTTYPZUTL-UHFFFAOYSA-N
XLogP2.23
TPSA275.36 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.52
LogP ≤ 52.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
6-(4-carboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid
CID 58788780
2-[4-(2-aminoethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylic acid
CID 70895468
2-(furan-3-yl)pyridine-4-carboxylic acid
CID 91623804
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;nickel;(2-oxoniocarbonylbenzoyl)oxidanium
CID 59748498
2-(4-ethoxyphenyl)pyridine-4-carboxylic acid
CID 50999400
2-(2-pyridin-4-ylpyrimidin-4-yl)pyridine-4-carboxylic acid
CID 56861601
magnesium 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate
CID 174186060
3-amino-6-(4-carboxy-2-pyridinyl)pyridine-2-carboxylic acid
CID 140591026
2-(1-methylimidazol-2-yl)pyridine-4-carboxylic acid
CID 84671306

Frequently Asked Questions

What is the IUPAC name of bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium?
The IUPAC name of bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium (CID 11982105) is bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium.
What is the SMILES notation for bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium?
The canonical SMILES for bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium is O=C(O)C(=O)O.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru].
What is the InChIKey of bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium?
The InChIKey is HDYHAZTTYPZUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2O4.C2H2O4.Ru/c2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;3-1(4)2(5)6;/h2*1-6H,(H,15,16)(H,17,18);(H,3,4)(H,5,6);.
What are the key properties of bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium?
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium has a molecular weight of 679.52 g/mol, XLogP of 2.23, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium is sourced from PubChem (CID 11982105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).