5-(5-bromo-3-pyridinyl)-3-methyl-1,2,4-oxadiazole

C8H6BrN3O — CID 52903735

IUPAC5-(5-bromo-3-pyridinyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2cncc(Br)c2)n1
InChIInChI=1S/C8H6BrN3O/c1-5-11-8(13-12-5)6-2-7(9)4-10-3-6/h2-4H,1H3
InChIKeyHJKGVCYLZLWOGD-UHFFFAOYSA-N
MW240.06 g/mol
LogP2.20
Rot. Bonds1

About 5-(5-bromo-3-pyridinyl)-3-methyl-1,2,4-oxadiazole

5-(5-bromo-3-pyridinyl)-3-methyl-1,2,4-oxadiazole (PubChem CID 52903735) has the molecular formula C8H6BrN3O and a molecular weight of 240.06 g/mol. Its IUPAC name is 5-(5-bromo-3-pyridinyl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-bromo-3-pyridinyl)-3-methyl-1,2,4-oxadiazole
PubChem CID52903735
Molecular FormulaC8H6BrN3O
Molecular Weight240.06 g/mol
Exact Mass238.97
IUPAC Name5-(5-bromo-3-pyridinyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2cncc(Br)c2)n1
InChIInChI=1S/C8H6BrN3O/c1-5-11-8(13-12-5)6-2-7(9)4-10-3-6/h2-4H,1H3
InChIKeyHJKGVCYLZLWOGD-UHFFFAOYSA-N
XLogP2.20
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-3-pyridinyl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(5-bromo-3-pyridinyl)-3-methyl-1,2,4-oxadiazole (CID 52903735) is 5-(5-bromo-3-pyridinyl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-bromo-3-pyridinyl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-bromo-3-pyridinyl)-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2cncc(Br)c2)n1.
What is the InChIKey of 5-(5-bromo-3-pyridinyl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is HJKGVCYLZLWOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O/c1-5-11-8(13-12-5)6-2-7(9)4-10-3-6/h2-4H,1H3.
What are the key properties of 5-(5-bromo-3-pyridinyl)-3-methyl-1,2,4-oxadiazole?
5-(5-bromo-3-pyridinyl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 240.06 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-3-pyridinyl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 52903735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).