bis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride

C30H28Cl2N8Ru — CID 11422486

IUPACbis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride
SMILESNc1ccncc1.Nc1ccncc1.[Cl-].[Cl-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2C5H6N2.2ClH.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*6-5-1-3-7-4-2-5;;;/h2*1-8H;2*1-4H,(H2,6,7);2*1H;/q;;;;;;+2/p-2
InChIKeyMVEGPXUCOGNVKR-UHFFFAOYSA-L
MW672.59 g/mol
LogP-0.38
Rot. Bonds2

About bis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride

bis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride (PubChem CID 11422486) has the molecular formula C30H28Cl2N8Ru and a molecular weight of 672.59 g/mol. Its IUPAC name is bis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride.

Molecular Properties

Compound Namebis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride
PubChem CID11422486
Molecular FormulaC30H28Cl2N8Ru
Molecular Weight672.59 g/mol
Exact Mass672.09
IUPAC Namebis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride
SMILESNc1ccncc1.Nc1ccncc1.[Cl-].[Cl-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2C5H6N2.2ClH.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*6-5-1-3-7-4-2-5;;;/h2*1-8H;2*1-4H,(H2,6,7);2*1H;/q;;;;;;+2/p-2
InChIKeyMVEGPXUCOGNVKR-UHFFFAOYSA-L
XLogP-0.38
TPSA129.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500672.59
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

pyridin-4-amine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride
CID 11180709
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridin-4-amine
CID 1236680
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
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CID 76737267
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125
pyrrolo[3,2-b]azepine
CID 66934182
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743

Frequently Asked Questions

What is the IUPAC name of bis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride?
The IUPAC name of bis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride (CID 11422486) is bis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride.
What is the SMILES notation for bis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride?
The canonical SMILES for bis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride is Nc1ccncc1.Nc1ccncc1.[Cl-].[Cl-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride?
The InChIKey is MVEGPXUCOGNVKR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8N2.2C5H6N2.2ClH.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*6-5-1-3-7-4-2-5;;;/h2*1-8H;2*1-4H,(H2,6,7);2*1H;/q;;;;;;+2/p-2.
What are the key properties of bis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride?
bis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride has a molecular weight of 672.59 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride is sourced from PubChem (CID 11422486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).