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

C14H6Cl2F3N3O — CID 2781027

IUPAC2-(3-chlorophenyl)-5-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cc(Cl)ncc1-c1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C14H6Cl2F3N3O/c15-8-3-1-2-7(4-8)12-21-22-13(23-12)9-6-20-11(16)5-10(9)14(17,18)19/h1-6H
InChIKeyBBSOUFBBGLTYNA-UHFFFAOYSA-N
MW360.12 g/mol
LogP5.12
Rot. Bonds2

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

2-(3-chlorophenyl)-5-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 2781027) has the molecular formula C14H6Cl2F3N3O and a molecular weight of 360.12 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID2781027
Molecular FormulaC14H6Cl2F3N3O
Molecular Weight360.12 g/mol
Exact Mass358.98
IUPAC Name2-(3-chlorophenyl)-5-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cc(Cl)ncc1-c1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C14H6Cl2F3N3O/c15-8-3-1-2-7(4-8)12-21-22-13(23-12)9-6-20-11(16)5-10(9)14(17,18)19/h1-6H
InChIKeyBBSOUFBBGLTYNA-UHFFFAOYSA-N
XLogP5.12
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.12
LogP ≤ 55.12
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 2-(3-chlorophenyl)-5-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chlorophenyl)-5-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole (CID 2781027) is 2-(3-chlorophenyl)-5-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chlorophenyl)-5-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chlorophenyl)-5-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole is FC(F)(F)c1cc(Cl)ncc1-c1nnc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 2-(3-chlorophenyl)-5-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is BBSOUFBBGLTYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2F3N3O/c15-8-3-1-2-7(4-8)12-21-22-13(23-12)9-6-20-11(16)5-10(9)14(17,18)19/h1-6H.
What are the key properties of 2-(3-chlorophenyl)-5-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
2-(3-chlorophenyl)-5-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 360.12 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2781027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).