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

C9H2ClF6N3O — CID 2768662

IUPAC3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1cnc(-c2noc(C(F)(F)F)n2)c(Cl)c1
InChIInChI=1S/C9H2ClF6N3O/c10-4-1-3(8(11,12)13)2-17-5(4)6-18-7(20-19-6)9(14,15)16/h1-2H
InChIKeyPSUFNUYKFNHDRY-UHFFFAOYSA-N
MW317.58 g/mol
LogP3.82
Rot. Bonds1

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

3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 2768662) has the molecular formula C9H2ClF6N3O and a molecular weight of 317.58 g/mol. Its IUPAC name is 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID2768662
Molecular FormulaC9H2ClF6N3O
Molecular Weight317.58 g/mol
Exact Mass316.98
IUPAC Name3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1cnc(-c2noc(C(F)(F)F)n2)c(Cl)c1
InChIInChI=1S/C9H2ClF6N3O/c10-4-1-3(8(11,12)13)2-17-5(4)6-18-7(20-19-6)9(14,15)16/h1-2H
InChIKeyPSUFNUYKFNHDRY-UHFFFAOYSA-N
XLogP3.82
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.58
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 2768662) is 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1cnc(-c2noc(C(F)(F)F)n2)c(Cl)c1.
What is the InChIKey of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is PSUFNUYKFNHDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2ClF6N3O/c10-4-1-3(8(11,12)13)2-17-5(4)6-18-7(20-19-6)9(14,15)16/h1-2H.
What are the key properties of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 317.58 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2768662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).