2-(6-chloro-2-pyridinyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3,4-oxadiazole

C15H9ClF3N3O2 — CID 141002753

IUPAC2-(6-chloro-2-pyridinyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cccc(OCc2nnc(-c3cccc(Cl)n3)o2)c1
InChIInChI=1S/C15H9ClF3N3O2/c16-12-6-2-5-11(20-12)14-22-21-13(24-14)8-23-10-4-1-3-9(7-10)15(17,18)19/h1-7H,8H2
InChIKeyDMMCBLFRIMNOGX-UHFFFAOYSA-N
MW355.70 g/mol
LogP4.38
Rot. Bonds4

About 2-(6-chloro-2-pyridinyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3,4-oxadiazole

2-(6-chloro-2-pyridinyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3,4-oxadiazole (PubChem CID 141002753) has the molecular formula C15H9ClF3N3O2 and a molecular weight of 355.70 g/mol. Its IUPAC name is 2-(6-chloro-2-pyridinyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(6-chloro-2-pyridinyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3,4-oxadiazole
PubChem CID141002753
Molecular FormulaC15H9ClF3N3O2
Molecular Weight355.70 g/mol
Exact Mass355.03
IUPAC Name2-(6-chloro-2-pyridinyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cccc(OCc2nnc(-c3cccc(Cl)n3)o2)c1
InChIInChI=1S/C15H9ClF3N3O2/c16-12-6-2-5-11(20-12)14-22-21-13(24-14)8-23-10-4-1-3-9(7-10)15(17,18)19/h1-7H,8H2
InChIKeyDMMCBLFRIMNOGX-UHFFFAOYSA-N
XLogP4.38
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.70
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-(6-chloro-2-pyridinyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(6-chloro-2-pyridinyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3,4-oxadiazole (CID 141002753) is 2-(6-chloro-2-pyridinyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(6-chloro-2-pyridinyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(6-chloro-2-pyridinyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3,4-oxadiazole is FC(F)(F)c1cccc(OCc2nnc(-c3cccc(Cl)n3)o2)c1.
What is the InChIKey of 2-(6-chloro-2-pyridinyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3,4-oxadiazole?
The InChIKey is DMMCBLFRIMNOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3O2/c16-12-6-2-5-11(20-12)14-22-21-13(24-14)8-23-10-4-1-3-9(7-10)15(17,18)19/h1-7H,8H2.
What are the key properties of 2-(6-chloro-2-pyridinyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3,4-oxadiazole?
2-(6-chloro-2-pyridinyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3,4-oxadiazole has a molecular weight of 355.70 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-pyridinyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 141002753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).