5-(3-Fluorophenylethynyl)-nicotinic acid ethyl ester

HCID 67047762
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Basic information

Standard SMILES
CCOC(=O)c1cncc(C#Cc2cccc(F)c2)c1
InChIKey
QQBIYMRMFSASGY-UHFFFAOYSA-N
Molecular formula
C16H12FNO2
Average molar mass
269.27 g/mol

Names & identifiers

Preferred name
5-(3-Fluorophenylethynyl)-nicotinic acid ethyl ester
IUPAC
ethyl 5-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxylate

Names & synonyms

SCHEMBL1477304QQBIYMRMFSASGY-UHFFFAOYSA-N5-(3-Fluorophenylethynyl)-nicotinic acid ethyl ester

Database identifiers

PubChem CID
67047762

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
39.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
20

Related reactions

6 records
New reaction record

Compound notes

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