4-[5-(4-Bromophenyl)-1,2,4-oxadiazol-3-yl]pyridine
Basic information
- CAS
5905-75-9- Standard SMILES
Brc1ccc(-c2nc(-c3ccncc3)no2)cc1- InChIKey
FAUUYUFBCVUJJG-UHFFFAOYSA-N- Molecular formula
- C13H8BrN3O
- Average molar mass
- 302.13 g/mol
- Monoisotopic mass
- 300.98507
Names & identifiers
- Preferred name
- 4-[5-(4-Bromophenyl)-1,2,4-oxadiazol-3-yl]pyridine
- IUPAC
- 5-(4-bromophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
Names & synonyms
4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]pyridineZINC4459115905-75-9ZINC00445911CBMicro_036458MLS0012011465-(4-bromophenyl)-3-pyridin-4-yl-1,2,4-oxadiazoleCHEMBL1333411DTXSID20358090Brc1ccc(cc1)c1onc(n1)c1ccncc1HMS2869P19CCG-33378
Show more names
MFCD01829562STK009574AKOS001059343385395-18-6SMR000564097BIM-0036307.P001ZINC0000004459115(4bromophenyl)3(pyridin4yl)124oxadiazole
Database identifiers
- CAS
5905-75-9- PubChem CID
- 877063
- DTXSID
DTXSID20358090- ChEMBL
CHEMBL1333411
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 265
Experimental & physicochemical properties
Solubility<0.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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