2-(2,6-dichloro-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole

C14H6Cl2F3N3O2 — CID 2781881

IUPAC2-(2,6-dichloro-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)Oc1ccc(-c2nnc(-c3cc(Cl)nc(Cl)c3)o2)cc1
InChIInChI=1S/C14H6Cl2F3N3O2/c15-10-5-8(6-11(16)20-10)13-22-21-12(23-13)7-1-3-9(4-2-7)24-14(17,18)19/h1-6H
InChIKeyYXKCCBADOMXEMI-UHFFFAOYSA-N
MW376.12 g/mol
LogP5.00
Rot. Bonds3

About 2-(2,6-dichloro-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole

2-(2,6-dichloro-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole (PubChem CID 2781881) has the molecular formula C14H6Cl2F3N3O2 and a molecular weight of 376.12 g/mol. Its IUPAC name is 2-(2,6-dichloro-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,6-dichloro-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
PubChem CID2781881
Molecular FormulaC14H6Cl2F3N3O2
Molecular Weight376.12 g/mol
Exact Mass374.98
IUPAC Name2-(2,6-dichloro-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)Oc1ccc(-c2nnc(-c3cc(Cl)nc(Cl)c3)o2)cc1
InChIInChI=1S/C14H6Cl2F3N3O2/c15-10-5-8(6-11(16)20-10)13-22-21-12(23-13)7-1-3-9(4-2-7)24-14(17,18)19/h1-6H
InChIKeyYXKCCBADOMXEMI-UHFFFAOYSA-N
XLogP5.00
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.12
LogP ≤ 55.00
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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Related Compounds

4-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 43557805
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine
CID 43583892
2-(4-methoxyphenyl)-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 31768026
N-ethyl-2-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 116629257
(E)-3-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 116629097
2-(4-chlorophenyl)-5-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 26650744
2,4,5-trimethyl-6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridin-3-ol
CID 139562072
2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 26289080
6-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134630822
2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 850624
4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane
CID 143849483

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,6-dichloro-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole (CID 2781881) is 2-(2,6-dichloro-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,6-dichloro-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,6-dichloro-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole is FC(F)(F)Oc1ccc(-c2nnc(-c3cc(Cl)nc(Cl)c3)o2)cc1.
What is the InChIKey of 2-(2,6-dichloro-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole?
The InChIKey is YXKCCBADOMXEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2F3N3O2/c15-10-5-8(6-11(16)20-10)13-22-21-12(23-13)7-1-3-9(4-2-7)24-14(17,18)19/h1-6H.
What are the key properties of 2-(2,6-dichloro-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole?
2-(2,6-dichloro-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole has a molecular weight of 376.12 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2781881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).