94481-69-3 Purity
96%
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Specification
The molecular formula of 5-Bromo-2-(3-hydroxy-1-butynyl)pyridine is C9H8BrNO.
5-Bromo-2-(3-hydroxy-1-butynyl)pyridine was created on December 5, 2007.
The computed IUPAC name of 5-Bromo-2-(3-hydroxy-1-butynyl)pyridine is 4-(5-bromopyridin-2-yl)but-3-yn-2-ol.
The InChIKey of 5-Bromo-2-(3-hydroxy-1-butynyl)pyridine is PZBQJYKAIXCGAO-UHFFFAOYSA-N.
The canonical SMILES representation of 5-Bromo-2-(3-hydroxy-1-butynyl)pyridine is CC(C#CC1=NC=C(C=C1)Br)O.
The molecular weight of 5-Bromo-2-(3-hydroxy-1-butynyl)pyridine is 226.07 g/mol.
5-Bromo-2-(3-hydroxy-1-butynyl)pyridine has 2 hydrogen bond acceptor counts.
The topological polar surface area of 5-Bromo-2-(3-hydroxy-1-butynyl)pyridine is 33.1 Å2.
No, 5-Bromo-2-(3-hydroxy-1-butynyl)pyridine does not have any defined atom stereocenter counts.
Yes, 5-Bromo-2-(3-hydroxy-1-butynyl)pyridine is considered canonicalized.