6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate

C24H20ClN4O8Ru — CID 139185927

IUPAC6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate
SMILESCc1ccncc1.Cc1ccncc1.O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.[O-][Cl+3]([O-])([O-])[O-].[Ru+3]
InChIInChI=1S/C12H8N2O4.2C6H7N.ClHO4.Ru/c15-11(16)9-5-1-3-7(13-9)8-4-2-6-10(14-8)12(17)18;2*1-6-2-4-7-5-3-6;2-1(3,4)5;/h1-6H,(H,15,16)(H,17,18);2*2-5H,1H3;(H,2,3,4,5);/q;;;;+3/p-3
InChIKeyODWCQTNVSWHBMD-UHFFFAOYSA-K
MW628.97 g/mol
LogP-3.11
Rot. Bonds3

About 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate

6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate (PubChem CID 139185927) has the molecular formula C24H20ClN4O8Ru and a molecular weight of 628.97 g/mol. Its IUPAC name is 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate.

Molecular Properties

Compound Name6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate
PubChem CID139185927
Molecular FormulaC24H20ClN4O8Ru
Molecular Weight628.97 g/mol
Exact Mass629.00
IUPAC Name6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate
SMILESCc1ccncc1.Cc1ccncc1.O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.[O-][Cl+3]([O-])([O-])[O-].[Ru+3]
InChIInChI=1S/C12H8N2O4.2C6H7N.ClHO4.Ru/c15-11(16)9-5-1-3-7(13-9)8-4-2-6-10(14-8)12(17)18;2*1-6-2-4-7-5-3-6;2-1(3,4)5;/h1-6H,(H,15,16)(H,17,18);2*2-5H,1H3;(H,2,3,4,5);/q;;;;+3/p-3
InChIKeyODWCQTNVSWHBMD-UHFFFAOYSA-K
XLogP-3.11
TPSA224.06 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.97
LogP ≤ 5-3.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

methanol;bis(6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate)
CID 139140582
Bis(6-[6-carboxylato-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylate);terbium(3+);triethylazanium
CID 139159726
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9-plumbabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594208
Tris(5-butylpyridine-2-carboxylic acid);iron
CID 91867238
2-(4-Carboxylato-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 168344486
6-(6-Carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(2+)
CID 56684304
Ru(II)(bda)(isoq)2
CID 56835789
Ru(II)(bda)(pic)2
CID 56835790
Ru(II)(bda)(isoq)2NH3
CID 138455537
Ru2-bda-N2
CID 138455538
[Ru(III)(bda)(pic)2][PF6]
CID 138455539
Ru(II)(bda)(pic)2NH3
CID 138455540

Frequently Asked Questions

What is the IUPAC name of 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate?
The IUPAC name of 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate (CID 139185927) is 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate.
What is the SMILES notation for 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate?
The canonical SMILES for 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate is Cc1ccncc1.Cc1ccncc1.O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.[O-][Cl+3]([O-])([O-])[O-].[Ru+3].
What is the InChIKey of 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate?
The InChIKey is ODWCQTNVSWHBMD-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H8N2O4.2C6H7N.ClHO4.Ru/c15-11(16)9-5-1-3-7(13-9)8-4-2-6-10(14-8)12(17)18;2*1-6-2-4-7-5-3-6;2-1(3,4)5;/h1-6H,(H,15,16)(H,17,18);2*2-5H,1H3;(H,2,3,4,5);/q;;;;+3/p-3.
What are the key properties of 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate?
6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate has a molecular weight of 628.97 g/mol, XLogP of -3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(3+);perchlorate is sourced from PubChem (CID 139185927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).