5-(Acetyloxy)-2(1H)-pyridinone
Basic information
- CAS
71847-90-0- Standard SMILES
CC(=O)Oc1ccc(=O)[nH]c1- InChIKey
JLGWWEQRFGMMHK-UHFFFAOYSA-N- Molecular formula
- C7H7NO3
- Average molar mass
- 153.14 g/mol
- Monoisotopic mass
- 153.04259309
Overview
See also: 6-Oxo-1,6-dihydropyridin-3-yl acetate (annotation moved to).
Names & identifiers
- Preferred name
- 5-(Acetyloxy)-2(1H)-pyridinone
- IUPAC
- (6-oxo-1H-pyridin-3-yl) acetate
- English name
- 5-(Acetyloxy)-2(1H)-pyridinone
- Molecular formula
- C7H7NO3
- Molecular weight
- 153.14
Names & synonyms
5-(Acetyloxy)-2(1H)-pyridinone71847-90-02(1H)-Pyridinone, 5-(acetyloxy)-NSC-282186(6-oxo-1H-pyridin-3-yl) acetateNSC282186RGS98YJD6G5-Acetyloxy-2(1H)-pyridinoneSCHEMBL28577024DTXSID203143786-Oxo-1,6-dihydropyridin-3-yl acetateDB-083416
Database identifiers
- CAS
71847-90-0- PubChem CID
- 323281
- DTXSID
DTXSID20314378- UNII
- RGS98YJD6G
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- FDA UNII
- 98 YJD6G · RGS98YJD6G
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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