2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylate;2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+))

C66H43N12O8Ru2- — CID 59141267

IUPAC2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylate;2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+))
SMILESO=C(O)c1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12.O=C([O-])c1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12.[Ru+].[Ru+].c1c[n-]c(-c2ncc[n-]2)n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C20H12N2O4.2C10H8N2.C6H4N4.2Ru/c2*23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-8-5(7-1)6-9-3-4-10-6;;/h2*1-10H,(H,23,24)(H,25,26);2*1-8H;1-4H;;/q;;;;-2;2*+1/p-1
InChIKeyFAEWZJCWONWYGA-UHFFFAOYSA-M
MW1334.29 g/mol
LogP10.70
Rot. Bonds9

About 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylate;2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+))

2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylate;2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+)) (PubChem CID 59141267) has the molecular formula C66H43N12O8Ru2- and a molecular weight of 1334.29 g/mol. Its IUPAC name is 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylate;2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+)).

Molecular Properties

Compound Name2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylate;2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+))
PubChem CID59141267
Molecular FormulaC66H43N12O8Ru2-
Molecular Weight1334.29 g/mol
Exact Mass1335.14
IUPAC Name2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylate;2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+))
SMILESO=C(O)c1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12.O=C([O-])c1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12.[Ru+].[Ru+].c1c[n-]c(-c2ncc[n-]2)n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C20H12N2O4.2C10H8N2.C6H4N4.2Ru/c2*23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-8-5(7-1)6-9-3-4-10-6;;/h2*1-10H,(H,23,24)(H,25,26);2*1-8H;1-4H;;/q;;;;-2;2*+1/p-1
InChIKeyFAEWZJCWONWYGA-UHFFFAOYSA-M
XLogP10.70
TPSA309.13 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001334.29
LogP ≤ 510.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

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Related Compounds

2-[difluoro(phenyl)methyl]pyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;2-imidazol-3-id-2-ylpyridine;pentadecakis(iridium);bis(2-(1-methyl-3,7-dihydro-2H-inden-7-id-1-yl)pyridine);2-(1-methyl-7H-inden-7-id-1-yl)pyridine;bis(2-(1-phenylcyclopentyl)pyridine);2-(2-phenylethyl)pyridine;2-(3-phenylpentan-3-yl)pyridine;hexakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;bis(pyridine-2-carboxylic acid);2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine
CID 157264944
CID 157368021
CID 157368021
2-[Difluoro(phenyl)methyl]pyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;2-imidazol-3-id-2-ylpyridine;hexadecakis(iridium);bis(4-methyl-1-phenylisoquinoline);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;heptakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;bis(2-phenylpyridine);pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide
CID 157456764
CID 157464434
CID 157464434
CID 157758504
CID 157758504
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
CID 157928826
CID 157928826
CID 158572636
CID 158572636
CID 158693874
CID 158693874
1-(4-Methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 158724422
CID 158785760
CID 158785760
1-(5-Fluoro-2-pyridinyl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 158884022

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylate;2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+))?
The IUPAC name of 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylate;2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+)) (CID 59141267) is 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylate;2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+)).
What is the SMILES notation for 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylate;2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+))?
The canonical SMILES for 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylate;2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+)) is O=C(O)c1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12.O=C([O-])c1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12.[Ru+].[Ru+].c1c[n-]c(-c2ncc[n-]2)n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylate;2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+))?
The InChIKey is FAEWZJCWONWYGA-UHFFFAOYSA-M. The full InChI is InChI=1S/2C20H12N2O4.2C10H8N2.C6H4N4.2Ru/c2*23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-8-5(7-1)6-9-3-4-10-6;;/h2*1-10H,(H,23,24)(H,25,26);2*1-8H;1-4H;;/q;;;;-2;2*+1/p-1.
What are the key properties of 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylate;2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+))?
2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylate;2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+)) has a molecular weight of 1334.29 g/mol, XLogP of 10.70, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylate;2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+)) is sourced from PubChem (CID 59141267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).