2(1H)-Pyrazinone, 5-bromo-3-methyl

• CAS: 100047-56-1
• Catalog Number: ACM100047561
• Category: Pyrazines
• Molecular Weight: 189.0
• Molecular Formula: C5H5BrN2O
• Appearance: Brown powder

Custom Q&A

What is the molecular formula of 2(1H)-Pyrazinone, 5-bromo-3-methyl?

The molecular formula is C5H5BrN2O.

What is the molecular weight of 2(1H)-Pyrazinone, 5-bromo-3-methyl?

The molecular weight is 189.01 g/mol.

What is the IUPAC name of 2(1H)-Pyrazinone, 5-bromo-3-methyl?

The IUPAC name is 5-bromo-3-methyl-1H-pyrazin-2-one.

What is the InChI of 2(1H)-Pyrazinone, 5-bromo-3-methyl?

The InChI is InChI=1S/C5H5BrN2O/c1-3-5(9)7-2-4(6)8-3/h2H,1H3,(H,7,9).

What is the InChIKey of 2(1H)-Pyrazinone, 5-bromo-3-methyl?

The InChIKey is RNHAEGVBHQSLFS-UHFFFAOYSA-N.

What is the canonical SMILES of 2(1H)-Pyrazinone, 5-bromo-3-methyl?

The canonical SMILES is CC1=NC(=CNC1=O)Br.

How many hydrogen bond donor counts does 2(1H)-Pyrazinone, 5-bromo-3-methyl have?

It has 1 hydrogen bond donor count.

What is the XLogP3-AA value for 2(1H)-Pyrazinone, 5-bromo-3-methyl?

The XLogP3-AA value is 0.2.

How many rotatable bond counts does 2(1H)-Pyrazinone, 5-bromo-3-methyl have?

It has 0 rotatable bond count.

Is 2(1H)-Pyrazinone, 5-bromo-3-methyl a canonicalized compound according to PubChem?

Yes, it is a canonicalized compound.