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

C7H4BrN3O — CID 140992599

IUPAC5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazole
SMILESBrc1cncc(-c2ncno2)c1
InChIInChI=1S/C7H4BrN3O/c8-6-1-5(2-9-3-6)7-10-4-11-12-7/h1-4H
InChIKeyKEYHLJVVAAZKAN-UHFFFAOYSA-N
MW226.03 g/mol
LogP1.89
Rot. Bonds1

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

5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 140992599) has the molecular formula C7H4BrN3O and a molecular weight of 226.03 g/mol. Its IUPAC name is 5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID140992599
Molecular FormulaC7H4BrN3O
Molecular Weight226.03 g/mol
Exact Mass224.95
IUPAC Name5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazole
SMILESBrc1cncc(-c2ncno2)c1
InChIInChI=1S/C7H4BrN3O/c8-6-1-5(2-9-3-6)7-10-4-11-12-7/h1-4H
InChIKeyKEYHLJVVAAZKAN-UHFFFAOYSA-N
XLogP1.89
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.03
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-3-pyridinyl)-5-iodo-1,3,4-oxadiazole
CID 114771628
5-(1,2,4-oxadiazol-5-yl)benzene-1,3-diamine
CID 107811629
2-(5-bromo-3-pyridinyl)pyrimidine
CID 22735178
5-(5-bromo-3-pyridinyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 59758751
3-bromo-5-[3-(5-bromo-3-pyridinyl)phenyl]pyridine
CID 58321914
2-(5-bromo-3-pyridinyl)-5-propyl-1,3,4-oxadiazole
CID 46739504
4-(5-bromo-3-pyridinyl)-3,5-dimethyl-1,2-oxazole;3,5-dibromopyridine
CID 160862172
2-(5-bromo-3-pyridinyl)-5-chloro-1,3-benzoxazole
CID 95909945
5-(5-bromo-3-pyridinyl)-3-(1-chlorobutyl)-1,2,4-oxadiazole
CID 103095915
4-(5-bromo-3-pyridinyl)phenol
CID 68606449
1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62163737
8-(5-bromo-3-pyridinyl)-7H-purine
CID 114402746

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazole (CID 140992599) is 5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazole is Brc1cncc(-c2ncno2)c1.
What is the InChIKey of 5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is KEYHLJVVAAZKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O/c8-6-1-5(2-9-3-6)7-10-4-11-12-7/h1-4H.
What are the key properties of 5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazole?
5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 226.03 g/mol, XLogP of 1.89, 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)-1,2,4-oxadiazole is sourced from PubChem (CID 140992599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).