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2(1H)-Pyridinone,3-bromo-4-hydroxy-

CAS
96245-97-5
Catalog Number
ACM96245975
Category
Other Products
Molecular Formula
C5H4BrNO2

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What is the molecular formula of the compound?

The molecular formula of the compound is C5H4BrNO2.

What is the molecular weight of the compound?

The molecular weight of the compound is 189.99 g/mol.

What is the IUPAC Name of the compound?

The IUPAC Name of the compound is 3-bromo-4-hydroxy-1H-pyridin-2-one.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C5H4BrNO2/c6-4-3(8)1-2-7-5(4)9/h1-2H,(H2,7,8,9).

What is the InChIKey of the compound?

The InChIKey of the compound is AZYBXXIHALNBIX-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1=CNC(=O)C(=C1O)Br.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 0.5.

How many hydrogen bond donor count does the compound have?

The compound has 2 hydrogen bond donor count.

How many hydrogen bond acceptor count does the compound have?

The compound has 2 hydrogen bond acceptor count.

How many rotatable bond count does the compound have?

The compound has 0 rotatable bond count.

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