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2-(4-Fluorophenyl)-5-valeroylpyridine

HCID 20189918
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCCCC(=O)c1ccc(-c2ccc(F)cc2)nc1
InChIKey
MGVBYCHONXMEMF-UHFFFAOYSA-N
Molecular formula
C16H16FNO
Average molar mass
257.3 g/mol
Monoisotopic mass
257.1215923

Names & identifiers

Preferred name
2-(4-Fluorophenyl)-5-valeroylpyridine
IUPAC
1-[6-(4-fluorophenyl)-3-pyridinyl]pentan-1-one

Names & synonyms

SCHEMBL10355354MGVBYCHONXMEMF-UHFFFAOYSA-N2-(4-fluorophenyl)-5-valeroylpyridine

Database identifiers

PubChem CID
20189918

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
30 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
19
Formal charge
0
Complexity
286

Related reactions

2 records
New reaction record
HRID 302006 reaction equation
HRID 302006As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1788645 reaction equation
HRID 1788645As productuspto-grants-1987_08

Compound notes

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