5-(4-Bromophenyl)-3-(5-fluoropyridin-3-yl)isoxazole

HCID 44546347
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Basic information

Standard SMILES
Fc1cncc(-c2cc(-c3ccc(Br)cc3)on2)c1
InChIKey
GOVVDPQZFCUCCG-UHFFFAOYSA-N
Molecular formula
C14H8BrFN2O
Average molar mass
319.13 g/mol

Names & identifiers

Preferred name
5-(4-Bromophenyl)-3-(5-fluoropyridin-3-yl)isoxazole
IUPAC
5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazole

Names & synonyms

SCHEMBL4319858GOVVDPQZFCUCCG-UHFFFAOYSA-N5-(4-Bromophenyl)-3-(5-fluoropyridin-3-yl)isoxazole

Database identifiers

PubChem CID
44546347

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
38.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
19

Related reactions

1 records
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Compound notes

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