2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(hydroperoxymethyl)-2-[4-(hydroperoxymethyl)-2-pyridinyl]pyridine;tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide

C68H52N16O8Ru3- — CID 20667886

IUPAC2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(hydroperoxymethyl)-2-[4-(hydroperoxymethyl)-2-pyridinyl]pyridine;tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.OOCc1ccnc(-c2cc(COO)ccn2)c1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Ru+2].[Ru+].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C12H12N2O4.C12H8N2O4.4C10H8N2.4CN.3Ru/c15-17-7-9-1-3-13-11(5-9)12-6-10(8-18-16)2-4-14-12;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-2;;;/h1-6,15-16H,7-8H2;1-6H,(H,15,16)(H,17,18);4*1-8H;;;;;;;/q;;;;;;4*-1;;+1;+2
InChIKeyAZDZZOUFWVBWJS-UHFFFAOYSA-N
MW1524.48 g/mol
LogP12.62
Rot. Bonds12

About 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(hydroperoxymethyl)-2-[4-(hydroperoxymethyl)-2-pyridinyl]pyridine;tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide

2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(hydroperoxymethyl)-2-[4-(hydroperoxymethyl)-2-pyridinyl]pyridine;tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide (PubChem CID 20667886) has the molecular formula C68H52N16O8Ru3- and a molecular weight of 1524.48 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(hydroperoxymethyl)-2-[4-(hydroperoxymethyl)-2-pyridinyl]pyridine;tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide.

Molecular Properties

Compound Name2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(hydroperoxymethyl)-2-[4-(hydroperoxymethyl)-2-pyridinyl]pyridine;tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide
PubChem CID20667886
Molecular FormulaC68H52N16O8Ru3-
Molecular Weight1524.48 g/mol
Exact Mass1526.13
IUPAC Name2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(hydroperoxymethyl)-2-[4-(hydroperoxymethyl)-2-pyridinyl]pyridine;tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.OOCc1ccnc(-c2cc(COO)ccn2)c1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Ru+2].[Ru+].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C12H12N2O4.C12H8N2O4.4C10H8N2.4CN.3Ru/c15-17-7-9-1-3-13-11(5-9)12-6-10(8-18-16)2-4-14-12;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-2;;;/h1-6,15-16H,7-8H2;1-6H,(H,15,16)(H,17,18);4*1-8H;;;;;;;/q;;;;;;4*-1;;+1;+2
InChIKeyAZDZZOUFWVBWJS-UHFFFAOYSA-N
XLogP12.62
TPSA383.36 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001524.48
LogP ≤ 512.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

Cis-bis(isothiocyanato)(2,2 inverted exclamation marka-bipyridyl-4,4 inverted exclamation marka-dicarboxylato)(4,4 inverted exclamation marka-bis(5-hexylthiophen-2-yl)-2,2 inverted exclamation marka-bipyridyl)ruthenium(II)
CID 58489256
Ruthenium bis(bipyridine)dicarboxybipyridine
CID 3081541
Di-tetrabutylammonium cis-bis(isothiocyanato)bis(2,2'-bipyridyl-4,4'-dicarboxylato)ruthenium(II), 95% (NMR)
CID 71310680
Bis(2,2'-bipyridyl-4,4'-dicarboxylate) ruthenium
CID 129664332
2-(4-Carboxylato-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 168344486
cis-Bis(isothiocyanato)bis(2,2'-bipyridyl-4,4'-dicarboxylato)ruthenium(II)
CID 15972006
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium(1+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58510475
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(1+)
CID 58510481
Bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);ruthenium(2+);diisothiocyanate
CID 60017239
2-(4-Carboxy-2-pyridinyl)-6-(6-cyano-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+)
CID 144596543
2,6-Bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;5-[1-ethyl-5-(2-methylpropyl)pyrrol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);thiocyanate
CID 145155885
Bis(2-(4-carboxy-2-pyridinyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine-4-carboxylic acid);ruthenium(2+)
CID 145623526

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(hydroperoxymethyl)-2-[4-(hydroperoxymethyl)-2-pyridinyl]pyridine;tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide?
The IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(hydroperoxymethyl)-2-[4-(hydroperoxymethyl)-2-pyridinyl]pyridine;tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide (CID 20667886) is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(hydroperoxymethyl)-2-[4-(hydroperoxymethyl)-2-pyridinyl]pyridine;tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide.
What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(hydroperoxymethyl)-2-[4-(hydroperoxymethyl)-2-pyridinyl]pyridine;tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide?
The canonical SMILES for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(hydroperoxymethyl)-2-[4-(hydroperoxymethyl)-2-pyridinyl]pyridine;tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide is O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.OOCc1ccnc(-c2cc(COO)ccn2)c1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Ru+2].[Ru+].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(hydroperoxymethyl)-2-[4-(hydroperoxymethyl)-2-pyridinyl]pyridine;tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide?
The InChIKey is AZDZZOUFWVBWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4.C12H8N2O4.4C10H8N2.4CN.3Ru/c15-17-7-9-1-3-13-11(5-9)12-6-10(8-18-16)2-4-14-12;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-2;;;/h1-6,15-16H,7-8H2;1-6H,(H,15,16)(H,17,18);4*1-8H;;;;;;;/q;;;;;;4*-1;;+1;+2.
What are the key properties of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(hydroperoxymethyl)-2-[4-(hydroperoxymethyl)-2-pyridinyl]pyridine;tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide?
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(hydroperoxymethyl)-2-[4-(hydroperoxymethyl)-2-pyridinyl]pyridine;tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide has a molecular weight of 1524.48 g/mol, XLogP of 12.62, 12 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(hydroperoxymethyl)-2-[4-(hydroperoxymethyl)-2-pyridinyl]pyridine;tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide is sourced from PubChem (CID 20667886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).