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

C18H16F6N6OsP2 — CID 58788799

IUPACosmium(2+);phosphane;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
SMILESFC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.P.P.[Os+2]
InChIInChI=1S/2C9H5F3N3.Os.2H3P/c2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;;;/h2*1-5H;;2*1H3/q2*-1;+2;;
InChIKeyRDCUTMPHIFMXLA-UHFFFAOYSA-N
MW682.53 g/mol
LogP4.35
Rot. Bonds2

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

osmium(2+);phosphane;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (PubChem CID 58788799) has the molecular formula C18H16F6N6OsP2 and a molecular weight of 682.53 g/mol. Its IUPAC name is osmium(2+);phosphane;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).

Molecular Properties

Compound Nameosmium(2+);phosphane;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
PubChem CID58788799
Molecular FormulaC18H16F6N6OsP2
Molecular Weight682.53 g/mol
Exact Mass684.04
IUPAC Nameosmium(2+);phosphane;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
SMILESFC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.P.P.[Os+2]
InChIInChI=1S/2C9H5F3N3.Os.2H3P/c2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;;;/h2*1-5H;;2*1H3/q2*-1;+2;;
InChIKeyRDCUTMPHIFMXLA-UHFFFAOYSA-N
XLogP4.35
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500682.53
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', '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(3,5-dimethyl-1H-pyrazole);platinum(2+);2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;chloride
CID 139141458
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
Bis(5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);platinum(2+)
CID 168338735
2,6-Bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+);triphenylphosphanium
CID 168345668
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

Frequently Asked Questions

What is the IUPAC name of osmium(2+);phosphane;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The IUPAC name of osmium(2+);phosphane;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (CID 58788799) is osmium(2+);phosphane;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).
What is the SMILES notation for osmium(2+);phosphane;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The canonical SMILES for osmium(2+);phosphane;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.P.P.[Os+2].
What is the InChIKey of osmium(2+);phosphane;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The InChIKey is RDCUTMPHIFMXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H5F3N3.Os.2H3P/c2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;;;/h2*1-5H;;2*1H3/q2*-1;+2;;.
What are the key properties of osmium(2+);phosphane;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
osmium(2+);phosphane;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) has a molecular weight of 682.53 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for osmium(2+);phosphane;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is sourced from PubChem (CID 58788799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).