1-(3-Fluoropyridin-2-yl)piperidin-4-one

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Basic information

CAS: 828266-07-5
Standard SMILES: O=C1CCN(c2ncccc2F)CC1
InChIKey: DJMZCROAFOQIPA-UHFFFAOYSA-N
Molecular formula: C10H11FN2O
Average molar mass: 194.21 g/mol
Monoisotopic mass: 194.08554114

Names & identifiers

Preferred name: 1-(3-Fluoropyridin-2-yl)piperidin-4-one
IUPAC: 1-(3-fluoro-2-pyridinyl)piperidin-4-one

Names & synonyms

1-(3-Fluoropyridin-2-yl)piperidin-4-one828266-07-5SCHEMBL28447543'-Fluoro-2,3,5,6-tetrahydro-[1,2']bipyridinyl-4-oneDTXSID30731279DJMZCROAFOQIPA-UHFFFAOYSA-NAKOS012027210

Database identifiers

CAS: 828266-07-5
PubChem CID: 59216366
DTXSID: DTXSID30731279

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 33.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 212

Related reactions

2 records

New reaction record

HRID 939574As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1942265As productuspto-grants-2013_03

Compound notes

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