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

C8H6BrN3O — CID 112571777

IUPAC3-bromo-5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCc1cncc(-c2nc(Br)no2)c1
InChIInChI=1S/C8H6BrN3O/c1-5-2-6(4-10-3-5)7-11-8(9)12-13-7/h2-4H,1H3
InChIKeyVAZLLQXPKYMQNJ-UHFFFAOYSA-N
MW240.06 g/mol
LogP2.20
Rot. Bonds1

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

3-bromo-5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 112571777) has the molecular formula C8H6BrN3O and a molecular weight of 240.06 g/mol. Its IUPAC name is 3-bromo-5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-bromo-5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID112571777
Molecular FormulaC8H6BrN3O
Molecular Weight240.06 g/mol
Exact Mass238.97
IUPAC Name3-bromo-5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCc1cncc(-c2nc(Br)no2)c1
InChIInChI=1S/C8H6BrN3O/c1-5-2-6(4-10-3-5)7-11-8(9)12-13-7/h2-4H,1H3
InChIKeyVAZLLQXPKYMQNJ-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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Related Compounds

1-[5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634804
3-bromo-5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole
CID 112571626
2-iodo-5-(5-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 114771871
5-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 114329296
2-bromo-6-(5-methyl-3-pyridinyl)pyridine
CID 115375410
5-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 63154285
3-bromo-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole
CID 112571789
3-(5-methyl-3-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 25110232
3-bromo-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 112571611
3-bromo-5-(2,6-difluoro-3-methylphenyl)-1,2,4-oxadiazole
CID 112571688
CID 174996178
CID 174996178
5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole)
CID 159673647

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 3-bromo-5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole (CID 112571777) is 3-bromo-5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-bromo-5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-bromo-5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole is Cc1cncc(-c2nc(Br)no2)c1.
What is the InChIKey of 3-bromo-5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is VAZLLQXPKYMQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O/c1-5-2-6(4-10-3-5)7-11-8(9)12-13-7/h2-4H,1H3.
What are the key properties of 3-bromo-5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole?
3-bromo-5-(5-methyl-3-pyridinyl)-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 3-bromo-5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 112571777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).