2-(4-carboxypyridin-1-ium-1-yl)pyridine-4-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide

C68H49N16O8Ru3+ — CID 20735890

IUPAC2-(4-carboxypyridin-1-ium-1-yl)pyridine-4-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide
SMILESO=C(O)c1cc[n+](-c2cc(C(=O)O)ccn2)cc1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Ru+2].[Ru+2].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C12H8N2O4.4C10H8N2.4CN.3Ru/c15-11(16)8-2-5-14(6-3-8)10-7-9(12(17)18)1-4-13-10;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;;;/h1-7H,(H-,15,16,17,18);1-6H,(H,15,16)(H,17,18);4*1-8H;;;;;;;/q;;;;;;4*-1;;2*+2/p+1
InChIKeyCYPMRNIKKPWWBF-UHFFFAOYSA-O
MW1521.45 g/mol
LogP11.25
Rot. Bonds10

About 2-(4-carboxypyridin-1-ium-1-yl)pyridine-4-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide

2-(4-carboxypyridin-1-ium-1-yl)pyridine-4-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide (PubChem CID 20735890) has the molecular formula C68H49N16O8Ru3+ and a molecular weight of 1521.45 g/mol. Its IUPAC name is 2-(4-carboxypyridin-1-ium-1-yl)pyridine-4-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide.

Molecular Properties

Compound Name2-(4-carboxypyridin-1-ium-1-yl)pyridine-4-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide
PubChem CID20735890
Molecular FormulaC68H49N16O8Ru3+
Molecular Weight1521.45 g/mol
Exact Mass1523.10
IUPAC Name2-(4-carboxypyridin-1-ium-1-yl)pyridine-4-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide
SMILESO=C(O)c1cc[n+](-c2cc(C(=O)O)ccn2)cc1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Ru+2].[Ru+2].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C12H8N2O4.4C10H8N2.4CN.3Ru/c15-11(16)8-2-5-14(6-3-8)10-7-9(12(17)18)1-4-13-10;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;;;/h1-7H,(H-,15,16,17,18);1-6H,(H,15,16)(H,17,18);4*1-8H;;;;;;;/q;;;;;;4*-1;;2*+2/p+1
InChIKeyCYPMRNIKKPWWBF-UHFFFAOYSA-O
XLogP11.25
TPSA390.03 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001521.45
LogP ≤ 511.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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
2,6-Bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-carboxy-2-pyridinyl)-6-pyrimidin-2-ylpyridine-4-carboxylic acid;ruthenium(2+)
CID 144596631
1-[5-[4-Carboxy-6-(4-carboxy-2-pyridinyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-yl]-4-(trifluoromethyl)-2,3-diaza-17,18-diazoniapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-3,5,7(18),8,10,12(17),13,15-octaene-9,14-dicarboxylic acid;ruthenium
CID 145623527
Octakis(carbon dioxide);2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-ethenyl-2-(4-ethenyl-2-pyridinyl)pyridine;bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);bis(2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);tris(2-pyridin-2-ylpyridine);ruthenium(1+);tris(ruthenium(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 157787433
Bis(carbon dioxide);2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;propane;2-pyridin-2-ylpyridine;ruthenium(1+)
CID 159788127
Cobalt(iii) tris(2,2'-bipyridine-4,4'-dicarboxylic acid) hexahydrate
CID 139155514
Ru(H2dcbpy)2(dcbpy).6(H2O)
CID 168342882
Bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide
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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
Bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide
CID 20728762
Bis(2-[4-(hydroperoxymethyl)-2-pyridinyl]pyridine-4-carboxylic acid);tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide
CID 22950220
2,6-Bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-(6-pyridin-2-yl-2-pyridinyl)-1-azanida-2-boracyclohexa-3,5-diene;ruthenium(1+)
CID 58120604

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxypyridin-1-ium-1-yl)pyridine-4-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide?
The IUPAC name of 2-(4-carboxypyridin-1-ium-1-yl)pyridine-4-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide (CID 20735890) is 2-(4-carboxypyridin-1-ium-1-yl)pyridine-4-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide.
What is the SMILES notation for 2-(4-carboxypyridin-1-ium-1-yl)pyridine-4-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide?
The canonical SMILES for 2-(4-carboxypyridin-1-ium-1-yl)pyridine-4-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide is O=C(O)c1cc[n+](-c2cc(C(=O)O)ccn2)cc1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Ru+2].[Ru+2].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-(4-carboxypyridin-1-ium-1-yl)pyridine-4-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide?
The InChIKey is CYPMRNIKKPWWBF-UHFFFAOYSA-O. The full InChI is InChI=1S/2C12H8N2O4.4C10H8N2.4CN.3Ru/c15-11(16)8-2-5-14(6-3-8)10-7-9(12(17)18)1-4-13-10;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;;;/h1-7H,(H-,15,16,17,18);1-6H,(H,15,16)(H,17,18);4*1-8H;;;;;;;/q;;;;;;4*-1;;2*+2/p+1.
What are the key properties of 2-(4-carboxypyridin-1-ium-1-yl)pyridine-4-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide?
2-(4-carboxypyridin-1-ium-1-yl)pyridine-4-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide has a molecular weight of 1521.45 g/mol, XLogP of 11.25, 10 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxypyridin-1-ium-1-yl)pyridine-4-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide is sourced from PubChem (CID 20735890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).