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

C8H6BrN3O — CID 23438610

IUPAC3-(5-bromo-2-pyridinyl)-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(Br)cn2)no1
InChIInChI=1S/C8H6BrN3O/c1-5-11-8(12-13-5)7-3-2-6(9)4-10-7/h2-4H,1H3
InChIKeyFJWXIWBINYNRCO-UHFFFAOYSA-N
MW240.06 g/mol
LogP2.20
Rot. Bonds1

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

3-(5-bromo-2-pyridinyl)-5-methyl-1,2,4-oxadiazole (PubChem CID 23438610) has the molecular formula C8H6BrN3O and a molecular weight of 240.06 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-5-methyl-1,2,4-oxadiazole
PubChem CID23438610
Molecular FormulaC8H6BrN3O
Molecular Weight240.06 g/mol
Exact Mass238.97
IUPAC Name3-(5-bromo-2-pyridinyl)-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(Br)cn2)no1
InChIInChI=1S/C8H6BrN3O/c1-5-11-8(12-13-5)7-3-2-6(9)4-10-7/h2-4H,1H3
InChIKeyFJWXIWBINYNRCO-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

2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol
CID 136715466
5-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811738
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103
2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3,6-dichloroaniline
CID 107051170
5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazole
CID 169499011
3-[4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methyl-1H-imidazol-2-one
CID 139022339
3-(5-bromo-2-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900829
N-[[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 113398106
4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136871087
2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclopentane-1-carboxylic acid
CID 114392714
5-methyl-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole
CID 131172474
3-(4-bromo-2-fluorophenyl)-5-methyl-1,2,4-oxadiazole
CID 58762310

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-5-methyl-1,2,4-oxadiazole (CID 23438610) is 3-(5-bromo-2-pyridinyl)-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-5-methyl-1,2,4-oxadiazole is Cc1nc(-c2ccc(Br)cn2)no1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-5-methyl-1,2,4-oxadiazole?
The InChIKey is FJWXIWBINYNRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O/c1-5-11-8(12-13-5)7-3-2-6(9)4-10-7/h2-4H,1H3.
What are the key properties of 3-(5-bromo-2-pyridinyl)-5-methyl-1,2,4-oxadiazole?
3-(5-bromo-2-pyridinyl)-5-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 3-(5-bromo-2-pyridinyl)-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 23438610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).