dioxotechnetium(1+);6-(trifluoromethyl)-3H-pyridin-3-ide

C6H3F3NO2Tc — CID 162601299

IUPACdioxotechnetium(1+);6-(trifluoromethyl)-3H-pyridin-3-ide
SMILESFC(F)(F)c1cc[c-]cn1.O=[Tc+]=O
InChIInChI=1S/C6H3F3N.2O.Tc/c7-6(8,9)5-3-1-2-4-10-5;;;/h1,3-4H;;;/q-1;;;+1
InChIKeyKGDAVAICHOYCIU-UHFFFAOYSA-N
MW276.09 g/mol
LogP1.66
Rot. Bonds

About dioxotechnetium(1+);6-(trifluoromethyl)-3H-pyridin-3-ide

dioxotechnetium(1+);6-(trifluoromethyl)-3H-pyridin-3-ide (PubChem CID 162601299) has the molecular formula C6H3F3NO2Tc and a molecular weight of 276.09 g/mol. Its IUPAC name is dioxotechnetium(1+);6-(trifluoromethyl)-3H-pyridin-3-ide.

Molecular Properties

Compound Namedioxotechnetium(1+);6-(trifluoromethyl)-3H-pyridin-3-ide
PubChem CID162601299
Molecular FormulaC6H3F3NO2Tc
Molecular Weight276.09 g/mol
Exact Mass274.92
IUPAC Namedioxotechnetium(1+);6-(trifluoromethyl)-3H-pyridin-3-ide
SMILESFC(F)(F)c1cc[c-]cn1.O=[Tc+]=O
InChIInChI=1S/C6H3F3N.2O.Tc/c7-6(8,9)5-3-1-2-4-10-5;;;/h1,3-4H;;;/q-1;;;+1
InChIKeyKGDAVAICHOYCIU-UHFFFAOYSA-N
XLogP1.66
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dioxotechnetium(1+);6-(trifluoromethyl)-3H-pyridin-3-ide?
The IUPAC name of dioxotechnetium(1+);6-(trifluoromethyl)-3H-pyridin-3-ide (CID 162601299) is dioxotechnetium(1+);6-(trifluoromethyl)-3H-pyridin-3-ide.
What is the SMILES notation for dioxotechnetium(1+);6-(trifluoromethyl)-3H-pyridin-3-ide?
The canonical SMILES for dioxotechnetium(1+);6-(trifluoromethyl)-3H-pyridin-3-ide is FC(F)(F)c1cc[c-]cn1.O=[Tc+]=O.
What is the InChIKey of dioxotechnetium(1+);6-(trifluoromethyl)-3H-pyridin-3-ide?
The InChIKey is KGDAVAICHOYCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N.2O.Tc/c7-6(8,9)5-3-1-2-4-10-5;;;/h1,3-4H;;;/q-1;;;+1.
What are the key properties of dioxotechnetium(1+);6-(trifluoromethyl)-3H-pyridin-3-ide?
dioxotechnetium(1+);6-(trifluoromethyl)-3H-pyridin-3-ide has a molecular weight of 276.09 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxotechnetium(1+);6-(trifluoromethyl)-3H-pyridin-3-ide is sourced from PubChem (CID 162601299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).