3-(2-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole

C8H3ClF3N3O — CID 50853279

IUPAC3-(2-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2cccnc2Cl)no1
InChIInChI=1S/C8H3ClF3N3O/c9-5-4(2-1-3-13-5)6-14-7(16-15-6)8(10,11)12/h1-3H
InChIKeyPRBWYBRXXRCGDO-UHFFFAOYSA-N
MW249.58 g/mol
LogP2.80
Rot. Bonds1

About 3-(2-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole

3-(2-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 50853279) has the molecular formula C8H3ClF3N3O and a molecular weight of 249.58 g/mol. Its IUPAC name is 3-(2-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID50853279
Molecular FormulaC8H3ClF3N3O
Molecular Weight249.58 g/mol
Exact Mass248.99
IUPAC Name3-(2-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2cccnc2Cl)no1
InChIInChI=1S/C8H3ClF3N3O/c9-5-4(2-1-3-13-5)6-14-7(16-15-6)8(10,11)12/h1-3H
InChIKeyPRBWYBRXXRCGDO-UHFFFAOYSA-N
XLogP2.80
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.58
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 50853279) is 3-(2-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1nc(-c2cccnc2Cl)no1.
What is the InChIKey of 3-(2-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is PRBWYBRXXRCGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF3N3O/c9-5-4(2-1-3-13-5)6-14-7(16-15-6)8(10,11)12/h1-3H.
What are the key properties of 3-(2-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-(2-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 249.58 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 50853279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).