[3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate

C15H6Cl2F3N3O3 — CID 140530200

IUPAC[3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate
SMILESO=C(Oc1ncccc1-c1nnc(-c2ccc(Cl)cc2Cl)o1)C(F)(F)F
InChIInChI=1S/C15H6Cl2F3N3O3/c16-7-3-4-8(10(17)6-7)12-22-23-13(25-12)9-2-1-5-21-11(9)26-14(24)15(18,19)20/h1-6H
InChIKeyDFLYRXSACJYPBS-UHFFFAOYSA-N
MW404.13 g/mol
LogP4.57
Rot. Bonds3

About [3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate

[3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate (PubChem CID 140530200) has the molecular formula C15H6Cl2F3N3O3 and a molecular weight of 404.13 g/mol. Its IUPAC name is [3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate
PubChem CID140530200
Molecular FormulaC15H6Cl2F3N3O3
Molecular Weight404.13 g/mol
Exact Mass402.97
IUPAC Name[3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate
SMILESO=C(Oc1ncccc1-c1nnc(-c2ccc(Cl)cc2Cl)o1)C(F)(F)F
InChIInChI=1S/C15H6Cl2F3N3O3/c16-7-3-4-8(10(17)6-7)12-22-23-13(25-12)9-2-1-5-21-11(9)26-14(24)15(18,19)20/h1-6H
InChIKeyDFLYRXSACJYPBS-UHFFFAOYSA-N
XLogP4.57
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.13
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate?
The IUPAC name of [3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate (CID 140530200) is [3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate is O=C(Oc1ncccc1-c1nnc(-c2ccc(Cl)cc2Cl)o1)C(F)(F)F.
What is the InChIKey of [3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate?
The InChIKey is DFLYRXSACJYPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6Cl2F3N3O3/c16-7-3-4-8(10(17)6-7)12-22-23-13(25-12)9-2-1-5-21-11(9)26-14(24)15(18,19)20/h1-6H.
What are the key properties of [3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate?
[3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate has a molecular weight of 404.13 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 140530200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).