2-[5-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-4-yl]acetonitrile

C10H5F3N4O2 — CID 59570304

IUPAC2-[5-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-4-yl]acetonitrile
SMILESN#CCn1c(-c2cc(C(F)(F)F)ccn2)noc1=O
InChIInChI=1S/C10H5F3N4O2/c11-10(12,13)6-1-3-15-7(5-6)8-16-19-9(18)17(8)4-2-14/h1,3,5H,4H2
InChIKeyHMDCHNYSOWTXCO-UHFFFAOYSA-N
MW270.17 g/mol
LogP1.44
Rot. Bonds2

About 2-[5-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-4-yl]acetonitrile

2-[5-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-4-yl]acetonitrile (PubChem CID 59570304) has the molecular formula C10H5F3N4O2 and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-[5-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-4-yl]acetonitrile
PubChem CID59570304
Molecular FormulaC10H5F3N4O2
Molecular Weight270.17 g/mol
Exact Mass270.04
IUPAC Name2-[5-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-4-yl]acetonitrile
SMILESN#CCn1c(-c2cc(C(F)(F)F)ccn2)noc1=O
InChIInChI=1S/C10H5F3N4O2/c11-10(12,13)6-1-3-15-7(5-6)8-16-19-9(18)17(8)4-2-14/h1,3,5H,4H2
InChIKeyHMDCHNYSOWTXCO-UHFFFAOYSA-N
XLogP1.44
TPSA84.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-4-yl]acetonitrile?
The IUPAC name of 2-[5-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-4-yl]acetonitrile (CID 59570304) is 2-[5-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-4-yl]acetonitrile.
What is the SMILES notation for 2-[5-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-4-yl]acetonitrile?
The canonical SMILES for 2-[5-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-4-yl]acetonitrile is N#CCn1c(-c2cc(C(F)(F)F)ccn2)noc1=O.
What is the InChIKey of 2-[5-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-4-yl]acetonitrile?
The InChIKey is HMDCHNYSOWTXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N4O2/c11-10(12,13)6-1-3-15-7(5-6)8-16-19-9(18)17(8)4-2-14/h1,3,5H,4H2.
What are the key properties of 2-[5-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-4-yl]acetonitrile?
2-[5-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-4-yl]acetonitrile has a molecular weight of 270.17 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-4-yl]acetonitrile is sourced from PubChem (CID 59570304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).