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Structure

5-Bromo-2-(3-hydroxy-1-butynyl)pyridine

CAS
944819-27-6
Catalog Number
ACM944819276
Category
Other Products
Molecular Weight
226.07000
Molecular Formula
C9H8BrNO

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Specification

IUPAC Name
3-Butyn-2-ol, 4-(5-bromo-2-pyridinyl)-, (2R)-
Boiling Point
309.7±37.0 °C (760 mmHg)
Density
1.57±0.1 g/cm³(20 °C , 760mmHg)
Exact Mass
224.97900
What is the molecular formula of 5-Bromo-2-(3-hydroxy-1-butynyl)pyridine?

The molecular formula of 5-Bromo-2-(3-hydroxy-1-butynyl)pyridine is C9H8BrNO.

When was 5-Bromo-2-(3-hydroxy-1-butynyl)pyridine created?

5-Bromo-2-(3-hydroxy-1-butynyl)pyridine was created on December 5, 2007.

What is the computed IUPAC name of 5-Bromo-2-(3-hydroxy-1-butynyl)pyridine?

The computed IUPAC name of 5-Bromo-2-(3-hydroxy-1-butynyl)pyridine is 4-(5-bromopyridin-2-yl)but-3-yn-2-ol.

What is the InChIKey of 5-Bromo-2-(3-hydroxy-1-butynyl)pyridine?

The InChIKey of 5-Bromo-2-(3-hydroxy-1-butynyl)pyridine is PZBQJYKAIXCGAO-UHFFFAOYSA-N.

What is the canonical SMILES representation of 5-Bromo-2-(3-hydroxy-1-butynyl)pyridine?

The canonical SMILES representation of 5-Bromo-2-(3-hydroxy-1-butynyl)pyridine is CC(C#CC1=NC=C(C=C1)Br)O.

What is the molecular weight of 5-Bromo-2-(3-hydroxy-1-butynyl)pyridine?

The molecular weight of 5-Bromo-2-(3-hydroxy-1-butynyl)pyridine is 226.07 g/mol.

How many hydrogen bond acceptor counts does 5-Bromo-2-(3-hydroxy-1-butynyl)pyridine have?

5-Bromo-2-(3-hydroxy-1-butynyl)pyridine has 2 hydrogen bond acceptor counts.

What is the topological polar surface area of 5-Bromo-2-(3-hydroxy-1-butynyl)pyridine?

The topological polar surface area of 5-Bromo-2-(3-hydroxy-1-butynyl)pyridine is 33.1 Å2.

Does 5-Bromo-2-(3-hydroxy-1-butynyl)pyridine have any defined atom stereocenter counts?

No, 5-Bromo-2-(3-hydroxy-1-butynyl)pyridine does not have any defined atom stereocenter counts.

Is 5-Bromo-2-(3-hydroxy-1-butynyl)pyridine considered canonicalized?

Yes, 5-Bromo-2-(3-hydroxy-1-butynyl)pyridine is considered canonicalized.

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