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

C14H7ClF3N3O2 — CID 2766749

IUPAC2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cnc(Oc2ccccc2-c2nnco2)c(Cl)c1
InChIInChI=1S/C14H7ClF3N3O2/c15-10-5-8(14(16,17)18)6-19-13(10)23-11-4-2-1-3-9(11)12-21-20-7-22-12/h1-7H
InChIKeyHMLGPPFHLHTEFP-UHFFFAOYSA-N
MW341.68 g/mol
LogP4.60
Rot. Bonds3

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

2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole (PubChem CID 2766749) has the molecular formula C14H7ClF3N3O2 and a molecular weight of 341.68 g/mol. Its IUPAC name is 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole
PubChem CID2766749
Molecular FormulaC14H7ClF3N3O2
Molecular Weight341.68 g/mol
Exact Mass341.02
IUPAC Name2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cnc(Oc2ccccc2-c2nnco2)c(Cl)c1
InChIInChI=1S/C14H7ClF3N3O2/c15-10-5-8(14(16,17)18)6-19-13(10)23-11-4-2-1-3-9(11)12-21-20-7-22-12/h1-7H
InChIKeyHMLGPPFHLHTEFP-UHFFFAOYSA-N
XLogP4.60
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.68
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole (CID 2766749) is 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole is FC(F)(F)c1cnc(Oc2ccccc2-c2nnco2)c(Cl)c1.
What is the InChIKey of 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole?
The InChIKey is HMLGPPFHLHTEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF3N3O2/c15-10-5-8(14(16,17)18)6-19-13(10)23-11-4-2-1-3-9(11)12-21-20-7-22-12/h1-7H.
What are the key properties of 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole?
2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole has a molecular weight of 341.68 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2766749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).