2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,6-dipyridin-2-ylpyridine;ruthenium(2+)

C28H16F6N8Ru — CID 140578653

IUPAC2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,6-dipyridin-2-ylpyridine;ruthenium(2+)
SMILESFC(F)(F)c1cc(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)[n-]n1.[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C15H11N3.C13H5F6N5.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;14-12(15,16)10-4-8(21-23-10)6-2-1-3-7(20-6)9-5-11(24-22-9)13(17,18)19;/h1-11H;1-5H;/q;-2;+2
InChIKeyIUUUSFNAWKYRCG-UHFFFAOYSA-N
MW679.55 g/mol
LogP6.36
Rot. Bonds4

About 2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,6-dipyridin-2-ylpyridine;ruthenium(2+)

2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,6-dipyridin-2-ylpyridine;ruthenium(2+) (PubChem CID 140578653) has the molecular formula C28H16F6N8Ru and a molecular weight of 679.55 g/mol. Its IUPAC name is 2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,6-dipyridin-2-ylpyridine;ruthenium(2+).

Molecular Properties

Compound Name2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,6-dipyridin-2-ylpyridine;ruthenium(2+)
PubChem CID140578653
Molecular FormulaC28H16F6N8Ru
Molecular Weight679.55 g/mol
Exact Mass680.04
IUPAC Name2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,6-dipyridin-2-ylpyridine;ruthenium(2+)
SMILESFC(F)(F)c1cc(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)[n-]n1.[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C15H11N3.C13H5F6N5.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;14-12(15,16)10-4-8(21-23-10)6-2-1-3-7(20-6)9-5-11(24-22-9)13(17,18)19;/h1-11H;1-5H;/q;-2;+2
InChIKeyIUUUSFNAWKYRCG-UHFFFAOYSA-N
XLogP6.36
TPSA105.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.55
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,6-dipyridin-2-ylpyridine;ruthenium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis{mu~2~-3-[3-(2-pyridyl)pyrazol-1-ylmethyl]pyridine-kappa^3^N^1^:N^2^,N^3^}disilver(I) bis(trifluoromethanesulfonate)
CID 139060498
Platinum(2+);pyrazol-1-ide;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131682
3,5-Dimethylpyrazol-1-ide;bis(platinum(2+));propan-2-one;bis(2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexafluorophosphate;hydrate
CID 139131683
3,5-Ditert-butylpyrazol-1-ide;hexane;bis(platinum(2+));2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-pyridin-2-yl-6-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;trifluoromethanesulfonate;hydrate
CID 139131684
3,5-Bis(trifluoromethyl)pyrazol-1-ide;platinum(2+);2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131685
Bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+)
CID 139138252
Bis(platinum(2+));propan-2-one;bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 139141460
Dicopper;acetonitrile;2,6-bis[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 139160035
RuPDP(COD)OTf
CID 139169569
Osmium(2+);1-[2-(phospholan-1-ium-1-yl)phenyl]phospholan-1-ium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine
CID 168354058
Tetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+))
CID 139115232
Iridium;2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807142

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,6-dipyridin-2-ylpyridine;ruthenium(2+)?
The IUPAC name of 2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,6-dipyridin-2-ylpyridine;ruthenium(2+) (CID 140578653) is 2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,6-dipyridin-2-ylpyridine;ruthenium(2+).
What is the SMILES notation for 2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,6-dipyridin-2-ylpyridine;ruthenium(2+)?
The canonical SMILES for 2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,6-dipyridin-2-ylpyridine;ruthenium(2+) is FC(F)(F)c1cc(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)[n-]n1.[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of 2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,6-dipyridin-2-ylpyridine;ruthenium(2+)?
The InChIKey is IUUUSFNAWKYRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3.C13H5F6N5.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;14-12(15,16)10-4-8(21-23-10)6-2-1-3-7(20-6)9-5-11(24-22-9)13(17,18)19;/h1-11H;1-5H;/q;-2;+2.
What are the key properties of 2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,6-dipyridin-2-ylpyridine;ruthenium(2+)?
2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,6-dipyridin-2-ylpyridine;ruthenium(2+) has a molecular weight of 679.55 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,6-dipyridin-2-ylpyridine;ruthenium(2+) is sourced from PubChem (CID 140578653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).