5-[2-(trifluoromethyl)-4-pyridinyl]-1,3,4-oxathiazol-2-one

C8H3F3N2O2S — CID 166761025

IUPAC5-[2-(trifluoromethyl)-4-pyridinyl]-1,3,4-oxathiazol-2-one
SMILESO=c1oc(-c2ccnc(C(F)(F)F)c2)ns1
InChIInChI=1S/C8H3F3N2O2S/c9-8(10,11)5-3-4(1-2-12-5)6-13-16-7(14)15-6/h1-3H
InChIKeyFJROGDJYHDRATP-UHFFFAOYSA-N
MW248.19 g/mol
LogP2.18
Rot. Bonds1

About 5-[2-(trifluoromethyl)-4-pyridinyl]-1,3,4-oxathiazol-2-one

5-[2-(trifluoromethyl)-4-pyridinyl]-1,3,4-oxathiazol-2-one (PubChem CID 166761025) has the molecular formula C8H3F3N2O2S and a molecular weight of 248.19 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)-4-pyridinyl]-1,3,4-oxathiazol-2-one.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)-4-pyridinyl]-1,3,4-oxathiazol-2-one
PubChem CID166761025
Molecular FormulaC8H3F3N2O2S
Molecular Weight248.19 g/mol
Exact Mass247.99
IUPAC Name5-[2-(trifluoromethyl)-4-pyridinyl]-1,3,4-oxathiazol-2-one
SMILESO=c1oc(-c2ccnc(C(F)(F)F)c2)ns1
InChIInChI=1S/C8H3F3N2O2S/c9-8(10,11)5-3-4(1-2-12-5)6-13-16-7(14)15-6/h1-3H
InChIKeyFJROGDJYHDRATP-UHFFFAOYSA-N
XLogP2.18
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)-4-pyridinyl]-1,3,4-oxathiazol-2-one?
The IUPAC name of 5-[2-(trifluoromethyl)-4-pyridinyl]-1,3,4-oxathiazol-2-one (CID 166761025) is 5-[2-(trifluoromethyl)-4-pyridinyl]-1,3,4-oxathiazol-2-one.
What is the SMILES notation for 5-[2-(trifluoromethyl)-4-pyridinyl]-1,3,4-oxathiazol-2-one?
The canonical SMILES for 5-[2-(trifluoromethyl)-4-pyridinyl]-1,3,4-oxathiazol-2-one is O=c1oc(-c2ccnc(C(F)(F)F)c2)ns1.
What is the InChIKey of 5-[2-(trifluoromethyl)-4-pyridinyl]-1,3,4-oxathiazol-2-one?
The InChIKey is FJROGDJYHDRATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F3N2O2S/c9-8(10,11)5-3-4(1-2-12-5)6-13-16-7(14)15-6/h1-3H.
What are the key properties of 5-[2-(trifluoromethyl)-4-pyridinyl]-1,3,4-oxathiazol-2-one?
5-[2-(trifluoromethyl)-4-pyridinyl]-1,3,4-oxathiazol-2-one has a molecular weight of 248.19 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)-4-pyridinyl]-1,3,4-oxathiazol-2-one is sourced from PubChem (CID 166761025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).