methanone;osmium(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

C20H12F6N6O2Os-2 — CID 58788803

IUPACmethanone;osmium(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
SMILESFC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[CH-]=O.[CH-]=O.[Os+2]
InChIInChI=1S/2C9H5F3N3.2CHO.Os/c2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-2;/h2*1-5H;2*1H;/q4*-1;+2
InChIKeyYQLSDZHTWZTFQD-UHFFFAOYSA-N
MW672.57 g/mol
LogP3.69
Rot. Bonds2

About methanone;osmium(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

methanone;osmium(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (PubChem CID 58788803) has the molecular formula C20H12F6N6O2Os-2 and a molecular weight of 672.57 g/mol. Its IUPAC name is methanone;osmium(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).

Molecular Properties

Compound Namemethanone;osmium(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
PubChem CID58788803
Molecular FormulaC20H12F6N6O2Os-2
Molecular Weight672.57 g/mol
Exact Mass674.06
IUPAC Namemethanone;osmium(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
SMILESFC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[CH-]=O.[CH-]=O.[Os+2]
InChIInChI=1S/2C9H5F3N3.2CHO.Os/c2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-2;/h2*1-5H;2*1H;/q4*-1;+2
InChIKeyYQLSDZHTWZTFQD-UHFFFAOYSA-N
XLogP3.69
TPSA113.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500672.57
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

Bis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);platinum(2+)
CID 139127932
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-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
manganese(2+);bis(2-(1H-pyrazol-3-yl)pyridine);bis(trifluoromethanesulfonate)
CID 139167154
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
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methylpyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20625479
Iridium;2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807142
Iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807144

Frequently Asked Questions

What is the IUPAC name of methanone;osmium(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The IUPAC name of methanone;osmium(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (CID 58788803) is methanone;osmium(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).
What is the SMILES notation for methanone;osmium(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The canonical SMILES for methanone;osmium(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[CH-]=O.[CH-]=O.[Os+2].
What is the InChIKey of methanone;osmium(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The InChIKey is YQLSDZHTWZTFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H5F3N3.2CHO.Os/c2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-2;/h2*1-5H;2*1H;/q4*-1;+2.
What are the key properties of methanone;osmium(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
methanone;osmium(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) has a molecular weight of 672.57 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanone;osmium(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is sourced from PubChem (CID 58788803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).