Basic information
- CAS
162704-68-9- Standard SMILES
c1cc(-c2ncno2)ccn1- InChIKey
YBZAPCTXZPUFPS-UHFFFAOYSA-N- Molecular formula
- C7H5N3O
- Average molar mass
- 147.13 g/mol
- Monoisotopic mass
- 147.04326179
Names & identifiers
- Preferred name
- 5-(Pyridin-4-yl)-1,2,4-oxadiazole
- IUPAC
- 5-pyridin-4-yl-1,2,4-oxadiazole
- English name
- Pyridine, 4-(1,2,4-oxadiazol-5-yl)- (9CI)
- Molecular formula
- C7H5N3O
- Molecular weight
- 147.13
Names & synonyms
162704-68-95-(pyridin-4-yl)-1,2,4-oxadiazolePyridine, 4-(1,2,4-oxadiazol-5-yl)- (9CI)5-pyridin-4-yl-1,2,4-oxadiazoleSCHEMBL2670835SCHEMBL3475309ALBB-038182DB-278302PYRIDINE, 4-(1,2,4-OXADIAZOL-5-YL)-
Database identifiers
- CAS
162704-68-9- PubChem CID
- 21962767
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Melting point
- 131 · 131-133 °C(Solv: ethanol (64-17-5))
- Boiling point
- 300.6 · 300.6±44.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 1.42 · 1.42±0.10(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…