5-(Pyridin-3-yl)isoxazol-3(2H)-one
Basic information
- CAS
72309-75-2- Standard SMILES
O=c1cc(-c2cccnc2)o[nH]1- InChIKey
MUUPDSVOQGYPQG-UHFFFAOYSA-N- Molecular formula
- C8H6N2O2
- Average molar mass
- 162.15 g/mol
- Monoisotopic mass
- 162.04292744
Names & identifiers
- Preferred name
- 5-(Pyridin-3-yl)isoxazol-3(2H)-one
- IUPAC
- 5-pyridin-3-yl-1,2-oxazol-3-one
- English name
- 3(2H)-Isoxazolone,5-(3-pyridinyl)-(9CI)
- Molecular formula
- C8H6N2O2
- Molecular weight
- 162.15
Names & synonyms
72309-75-25-(Pyridin-3-yl)isoxazol-3(2H)-oneSCHEMBL8378894MUUPDSVOQGYPQG-UHFFFAOYSA-N3-Hydroxy-5-(3-pyridyl)isoxazole3(2H)-Isoxazolone, 5-(3-pyridinyl)-DB-2713743(2H)-Isoxazolone,5-(3-pyridinyl)-(9CI)
Database identifiers
- CAS
72309-75-2- PubChem CID
- 10702133
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 225
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Compound notes
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