Basic information
- CAS
1306318-73-9- Standard SMILES
O=C1CCN(S(=O)(=O)c2cncc(F)c2)CC1- InChIKey
RWGYMQBCWIDNGD-UHFFFAOYSA-N- Molecular formula
- C10H11FN2O3S
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.04744155
Names & identifiers
- Preferred name
- 1-(5-Fluoropyridin-3-ylsulfonyl)piperidin-4-one
- IUPAC
- 1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-4-one
- English name
- 1-(5-fluoropyridin-3-ylsulfonyl)piperidin-4-one
- Molecular formula
- C10H11FN2O3S
- Molecular weight
- 258.27
Names & synonyms
1-(5-fluoropyridin-3-ylsulfonyl)piperidin-4-one1306318-73-91-(5-fluoropyridin-3-yl)sulfonylpiperidin-4-oneAKOS0110556454-Piperidinone, 1-[(5-fluoro-3-pyridinyl)sulfonyl]-
Database identifiers
- CAS
1306318-73-9- PubChem CID
- 61783925
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- Boiling point
- 429.5 · 429.5±55.0 °C(Predicted)
- Density
- 1.445 · 1.445±0.06 g/cm3(Predicted)
- pka
- 0.51 · 0.51±0.21(Predicted)
Chemistry & industry
Suppliers1 total
郑州药领医药科技有限公司13526569071 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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