bis(2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);2-pyridin-2-ylpyridine;ruthenium(2+)

C32H24F6N6Ru — CID 58510471

IUPACbis(2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);2-pyridin-2-ylpyridine;ruthenium(2+)
SMILESCc1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.Cc1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.[Ru+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C11H8F3N2.C10H8N2.Ru/c2*1-7-6-8(11(12,13)14)10(16-7)9-4-2-3-5-15-9;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*2-6H,1H3;1-8H;/q2*-1;;+2
InChIKeyALRWFBSQIZGIEY-UHFFFAOYSA-N
MW707.64 g/mol
LogP8.21
Rot. Bonds3

About bis(2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);2-pyridin-2-ylpyridine;ruthenium(2+)

bis(2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);2-pyridin-2-ylpyridine;ruthenium(2+) (PubChem CID 58510471) has the molecular formula C32H24F6N6Ru and a molecular weight of 707.64 g/mol. Its IUPAC name is bis(2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);2-pyridin-2-ylpyridine;ruthenium(2+).

Molecular Properties

Compound Namebis(2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);2-pyridin-2-ylpyridine;ruthenium(2+)
PubChem CID58510471
Molecular FormulaC32H24F6N6Ru
Molecular Weight707.64 g/mol
Exact Mass708.10
IUPAC Namebis(2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);2-pyridin-2-ylpyridine;ruthenium(2+)
SMILESCc1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.Cc1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.[Ru+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C11H8F3N2.C10H8N2.Ru/c2*1-7-6-8(11(12,13)14)10(16-7)9-4-2-3-5-15-9;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*2-6H,1H3;1-8H;/q2*-1;;+2
InChIKeyALRWFBSQIZGIEY-UHFFFAOYSA-N
XLogP8.21
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.64
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze bis(2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);2-pyridin-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

4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 170518286
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;2-pyridin-2-ylpyridine
CID 170518302
Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
CID 16683889
Ru(II)(bpy)2(Mebpy-cyclam-Zn(II))
CID 16683890
Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
CID 16683891
Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892
Ru(II)(bpy)2(Mebpy-cyclam-Co(III)-Cl2)
CID 16683893
4-Methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 5494444
[Ir(dF[CF3]ppy)2(dtbbpy)]PF6
CID 60160592
(R,R)-Mn(CF3-PDP)(MeCN)2(SbF6)2
CID 135121907
(R,R)-Fe(CF3-PDP)(MeCN)2(SbF6)2
CID 135121908
[(S)-(pmpp)Mn(CF3SO3)2
CID 139040573

Frequently Asked Questions

What is the IUPAC name of bis(2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);2-pyridin-2-ylpyridine;ruthenium(2+)?
The IUPAC name of bis(2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);2-pyridin-2-ylpyridine;ruthenium(2+) (CID 58510471) is bis(2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);2-pyridin-2-ylpyridine;ruthenium(2+).
What is the SMILES notation for bis(2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);2-pyridin-2-ylpyridine;ruthenium(2+)?
The canonical SMILES for bis(2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);2-pyridin-2-ylpyridine;ruthenium(2+) is Cc1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.Cc1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.[Ru+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);2-pyridin-2-ylpyridine;ruthenium(2+)?
The InChIKey is ALRWFBSQIZGIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H8F3N2.C10H8N2.Ru/c2*1-7-6-8(11(12,13)14)10(16-7)9-4-2-3-5-15-9;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*2-6H,1H3;1-8H;/q2*-1;;+2.
What are the key properties of bis(2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);2-pyridin-2-ylpyridine;ruthenium(2+)?
bis(2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);2-pyridin-2-ylpyridine;ruthenium(2+) has a molecular weight of 707.64 g/mol, XLogP of 8.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);2-pyridin-2-ylpyridine;ruthenium(2+) is sourced from PubChem (CID 58510471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).