2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hydrate

C23H19N7ORu+2 — CID 139249260

IUPAC2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hydrate
SMILESO.[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1cnc(-c2ncccn2)nc1
InChIInChI=1S/C15H11N3.C8H6N4.H2O.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-9-7(10-4-1)8-11-5-2-6-12-8;;/h1-11H;1-6H;1H2;/q;;;+2
InChIKeyRJKLNRMOHLHZOO-UHFFFAOYSA-N
MW510.52 g/mol
LogP3.31
Rot. Bonds3

About 2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hydrate

2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hydrate (PubChem CID 139249260) has the molecular formula C23H19N7ORu+2 and a molecular weight of 510.52 g/mol. Its IUPAC name is 2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hydrate.

Molecular Properties

Compound Name2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hydrate
PubChem CID139249260
Molecular FormulaC23H19N7ORu+2
Molecular Weight510.52 g/mol
Exact Mass511.07
IUPAC Name2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hydrate
SMILESO.[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1cnc(-c2ncccn2)nc1
InChIInChI=1S/C15H11N3.C8H6N4.H2O.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-9-7(10-4-1)8-11-5-2-6-12-8;;/h1-11H;1-6H;1H2;/q;;;+2
InChIKeyRJKLNRMOHLHZOO-UHFFFAOYSA-N
XLogP3.31
TPSA121.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.52
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,4,6-Tris(2'-pyridyl)-1,3,5-triazine
CID 77258
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
3,5,6-Tri(pyridin-2-yl)-1,2,4-triazine
CID 473557
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-4-yl)pyrimidin-4-amine
CID 4193543
N-cyano-N'-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-2-carboximidamide
CID 56971262
2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrimidine
CID 138501462
2-Methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine
CID 138501606
2-Methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 138501614
N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 3262159
4-Pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 3431450
2-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 3477788
N-benzyl-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 3507208

Frequently Asked Questions

What is the IUPAC name of 2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hydrate?
The IUPAC name of 2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hydrate (CID 139249260) is 2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hydrate.
What is the SMILES notation for 2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hydrate?
The canonical SMILES for 2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hydrate is O.[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1cnc(-c2ncccn2)nc1.
What is the InChIKey of 2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hydrate?
The InChIKey is RJKLNRMOHLHZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3.C8H6N4.H2O.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-9-7(10-4-1)8-11-5-2-6-12-8;;/h1-11H;1-6H;1H2;/q;;;+2.
What are the key properties of 2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hydrate?
2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hydrate has a molecular weight of 510.52 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hydrate is sourced from PubChem (CID 139249260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).