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Compound
2-(4-Fluorophenyl)-5-valeroylpyridine
HCID
20189918
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Basic information
Names & identifiers
Properties
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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
SCHEMBL10355354
MGVBYCHONXMEMF-UHFFFAOYSA-N
2-(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
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Related reactions
2 records
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As reactant
As product
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As solvent
HRID
302006
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
1788645
As product
uspto-grants-1987_08
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