2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium

C32H24N6O4Ru — CID 14951635

IUPAC2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C12H8N2O4.2C10H8N2.Ru/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;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;
InChIKeyZHWVFYLCRAMYAW-UHFFFAOYSA-N
MW657.65 g/mol
LogP5.82
Rot. Bonds5

About 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium

2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium (PubChem CID 14951635) has the molecular formula C32H24N6O4Ru and a molecular weight of 657.65 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium.

Molecular Properties

Compound Name2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
PubChem CID14951635
Molecular FormulaC32H24N6O4Ru
Molecular Weight657.65 g/mol
Exact Mass658.09
IUPAC Name2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C12H8N2O4.2C10H8N2.Ru/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;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;
InChIKeyZHWVFYLCRAMYAW-UHFFFAOYSA-N
XLogP5.82
TPSA151.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.65
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
2-(4-carboxy-2-pyridinyl)-6-pyridin-2-ylpyrimidine-4-carboxylic acid
CID 118281877
2-[4-(4-carboxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-4-carboxylic acid
CID 102183000
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;nickel;(2-oxoniocarbonylbenzoyl)oxidanium
CID 59748498
2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 24903633
2-phenoxypyridine-4-carboxylic acid
CID 21494431
3-chloro-4-pyridin-2-ylbenzoic acid
CID 68948514
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-(2-pyridin-2-ylethynyl)pyridine-4-carboxylic acid
CID 118478791

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium?
The IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium (CID 14951635) is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium.
What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium?
The canonical SMILES for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium is O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium?
The InChIKey is ZHWVFYLCRAMYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4.2C10H8N2.Ru/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;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;.
What are the key properties of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium?
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium has a molecular weight of 657.65 g/mol, XLogP of 5.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium is sourced from PubChem (CID 14951635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).