2-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole

C13H8BrN3O — CID 793749

IUPAC2-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C13H8BrN3O/c14-11-3-1-9(2-4-11)12-16-17-13(18-12)10-5-7-15-8-6-10/h1-8H
InChIKeyGPSRMJDGSWDMDR-UHFFFAOYSA-N
MW302.13 g/mol
LogP3.56
Rot. Bonds2

About 2-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole

2-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 793749) has the molecular formula C13H8BrN3O and a molecular weight of 302.13 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID793749
Molecular FormulaC13H8BrN3O
Molecular Weight302.13 g/mol
Exact Mass300.99
IUPAC Name2-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C13H8BrN3O/c14-11-3-1-9(2-4-11)12-16-17-13(18-12)10-5-7-15-8-6-10/h1-8H
InChIKeyGPSRMJDGSWDMDR-UHFFFAOYSA-N
XLogP3.56
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole (CID 793749) is 2-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole is Brc1ccc(-c2nnc(-c3ccncc3)o2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is GPSRMJDGSWDMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O/c14-11-3-1-9(2-4-11)12-16-17-13(18-12)10-5-7-15-8-6-10/h1-8H.
What are the key properties of 2-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
2-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 302.13 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 793749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).