6-(5-carboxylato-2-pyridinyl)pyridine-3-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihydrochloride

C32H24Cl2N6O4Ru — CID 154729977

IUPAC6-(5-carboxylato-2-pyridinyl)pyridine-3-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihydrochloride
SMILESCl.Cl.O=C([O-])c1ccc(-c2ccc(C(=O)[O-])cn2)nc1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C12H8N2O4.2C10H8N2.2ClH.Ru/c15-11(16)7-1-3-9(13-5-7)10-4-2-8(6-14-10)12(17)18;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h1-6H,(H,15,16)(H,17,18);2*1-8H;2*1H;/q;;;;;+2/p-2
InChIKeyNHTZGFPRFUFMJE-UHFFFAOYSA-L
MW728.56 g/mol
LogP4.00
Rot. Bonds5

About 6-(5-carboxylato-2-pyridinyl)pyridine-3-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihydrochloride

6-(5-carboxylato-2-pyridinyl)pyridine-3-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihydrochloride (PubChem CID 154729977) has the molecular formula C32H24Cl2N6O4Ru and a molecular weight of 728.56 g/mol. Its IUPAC name is 6-(5-carboxylato-2-pyridinyl)pyridine-3-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihydrochloride.

Molecular Properties

Compound Name6-(5-carboxylato-2-pyridinyl)pyridine-3-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihydrochloride
PubChem CID154729977
Molecular FormulaC32H24Cl2N6O4Ru
Molecular Weight728.56 g/mol
Exact Mass728.03
IUPAC Name6-(5-carboxylato-2-pyridinyl)pyridine-3-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihydrochloride
SMILESCl.Cl.O=C([O-])c1ccc(-c2ccc(C(=O)[O-])cn2)nc1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C12H8N2O4.2C10H8N2.2ClH.Ru/c15-11(16)7-1-3-9(13-5-7)10-4-2-8(6-14-10)12(17)18;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h1-6H,(H,15,16)(H,17,18);2*1-8H;2*1H;/q;;;;;+2/p-2
InChIKeyNHTZGFPRFUFMJE-UHFFFAOYSA-L
XLogP4.00
TPSA157.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500728.56
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-(5-carboxylato-2-pyridinyl)pyridine-3-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihydrochloride with MolForge

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Related Compounds

3-pyridin-2-ylbenzoate
CID 7020368
copper;2-oxidobenzoate;2-pyridin-2-ylpyridine
CID 24944135
bis(2,6-dipyridin-2-ylpyridine);hexakis(4-iodobenzoate);bis(ytterbium(3+));dihydrate
CID 139203194
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
dicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate
CID 139070149
copper;bis(3-methoxybenzoate);2-pyridin-2-ylpyridine;hydrate
CID 139080745
copper;bis(copper(1+));bis(pyridine-2,5-dicarboxylate);tetrakis(N-pyridin-2-ylpyridin-2-amine)
CID 139198746
copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate
CID 139207056
bis(pyridine-3-carboxylate);ruthenium(2+)
CID 87535471
6-pyridin-2-yl-N-[2-[2-[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethyl]pyridine-3-carboxamide
CID 102089949
2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 24903633
(4-methylpiperidin-1-yl)-(6-pyridin-2-yl-3-pyridinyl)methanone
CID 110681807

Frequently Asked Questions

What is the IUPAC name of 6-(5-carboxylato-2-pyridinyl)pyridine-3-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihydrochloride?
The IUPAC name of 6-(5-carboxylato-2-pyridinyl)pyridine-3-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihydrochloride (CID 154729977) is 6-(5-carboxylato-2-pyridinyl)pyridine-3-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihydrochloride.
What is the SMILES notation for 6-(5-carboxylato-2-pyridinyl)pyridine-3-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihydrochloride?
The canonical SMILES for 6-(5-carboxylato-2-pyridinyl)pyridine-3-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihydrochloride is Cl.Cl.O=C([O-])c1ccc(-c2ccc(C(=O)[O-])cn2)nc1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 6-(5-carboxylato-2-pyridinyl)pyridine-3-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihydrochloride?
The InChIKey is NHTZGFPRFUFMJE-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8N2O4.2C10H8N2.2ClH.Ru/c15-11(16)7-1-3-9(13-5-7)10-4-2-8(6-14-10)12(17)18;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h1-6H,(H,15,16)(H,17,18);2*1-8H;2*1H;/q;;;;;+2/p-2.
What are the key properties of 6-(5-carboxylato-2-pyridinyl)pyridine-3-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihydrochloride?
6-(5-carboxylato-2-pyridinyl)pyridine-3-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihydrochloride has a molecular weight of 728.56 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-carboxylato-2-pyridinyl)pyridine-3-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihydrochloride is sourced from PubChem (CID 154729977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).