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

C13H8BrN3O — CID 740482

IUPAC2-(2-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESBrc1ccccc1-c1nnc(-c2ccncc2)o1
InChIInChI=1S/C13H8BrN3O/c14-11-4-2-1-3-10(11)13-17-16-12(18-13)9-5-7-15-8-6-9/h1-8H
InChIKeyFVJVDTRIKYOZTE-UHFFFAOYSA-N
MW302.13 g/mol
LogP3.56
Rot. Bonds2

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

2-(2-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 740482) has the molecular formula C13H8BrN3O and a molecular weight of 302.13 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID740482
Molecular FormulaC13H8BrN3O
Molecular Weight302.13 g/mol
Exact Mass300.99
IUPAC Name2-(2-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESBrc1ccccc1-c1nnc(-c2ccncc2)o1
InChIInChI=1S/C13H8BrN3O/c14-11-4-2-1-3-10(11)13-17-16-12(18-13)9-5-7-15-8-6-9/h1-8H
InChIKeyFVJVDTRIKYOZTE-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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Related Compounds

2-(3-Pyridyl)-5-(4-tolyl)-1,3,4-oxadiazole
CID 853396
2,5-Bis(4-pyridyl)-1,3,4-oxadiazole
CID 699787
7-Phenyl-1-(5-pyridin-4-yl-[1,3,4]oxadiazol-2-yl)-heptan-1-one
CID 11631387
2-[(4-Bromophenyl)methylthio]-5-(3-pyridinyl)-1,3,4-oxadiazole
CID 758305
2-[(3-Bromophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 4882436
4-(5-Pentadecyl-1,3,4-oxadiazol-2-yl)pyridine
CID 17757647
2-(4-Bromophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 823507
4-(5-Phenyl-1,3,4-oxadiazol-2-yl)pyridine
CID 731741
3-{[(5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]methyl}pyridine
CID 861609
2-(4-Fluorophenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 859938
Fak-IN-10
CID 1203917
4-(5-Heptadecyl-1,3,4-oxadiazol-2-yl)pyridine
CID 17757646

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole (CID 740482) is 2-(2-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole is Brc1ccccc1-c1nnc(-c2ccncc2)o1.
What is the InChIKey of 2-(2-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is FVJVDTRIKYOZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O/c14-11-4-2-1-3-10(11)13-17-16-12(18-13)9-5-7-15-8-6-9/h1-8H.
What are the key properties of 2-(2-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
2-(2-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-(2-bromophenyl)-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 740482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).