5-Benzyloxy-2-bromoisonicotinic acid ethyl ester

HCID 86645166
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Basic information

Standard SMILES
CCOC(=O)c1cc(Br)ncc1OCc1ccccc1
InChIKey
YDSLSJXKHNUXIS-UHFFFAOYSA-N
Molecular formula
C15H14BrNO3
Average molar mass
336.18 g/mol
Monoisotopic mass
335.01571

Names & identifiers

Preferred name
5-Benzyloxy-2-bromoisonicotinic acid ethyl ester
IUPAC
ethyl 2-bromo-5-phenylmethoxypyridine-4-carboxylate

Names & synonyms

SCHEMBL3079030YDSLSJXKHNUXIS-UHFFFAOYSA-N5-Benzyloxy-2-bromoisonicotinic acid ethyl ester

Database identifiers

PubChem CID
86645166

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
48.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
20

Related reactions

6 records
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Compound notes

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