5-Carboxy-2-(4-fluorophenyl)-3-(pyridin-4-yl)thiophene

HCID 21988502
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Basic information

Standard SMILES
O=C(O)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1
InChIKey
SYZZYJVEXYPQNN-UHFFFAOYSA-N
Molecular formula
C16H10FNO2S
Average molar mass
299.3 g/mol

Names & identifiers

Preferred name
5-Carboxy-2-(4-fluorophenyl)-3-(pyridin-4-yl)thiophene
IUPAC
5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylic acid

Names & synonyms

SCHEMBL5253265CHEMBL6035495SYZZYJVEXYPQNN-UHFFFAOYSA-NBDBM542014US11273153, Compound 5.125-carboxy-2-(4-fluorophenyl)-3-(pyridin-4-yl)thiophene

Database identifiers

PubChem CID
21988502
ChEMBL
CHEMBL6035495

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
78.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
21

Related reactions

2 records
New reaction record

Linked notes

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