5-bromo-4-methyl-1H-pyridin-2-one

C6H6BrNO — CID 819937

IUPAC5-bromo-4-methyl-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1Br
InChIInChI=1S/C6H6BrNO/c1-4-2-6(9)8-3-5(4)7/h2-3H,1H3,(H,8,9)
InChIKeyBYGNXKDNIFHZHQ-UHFFFAOYSA-N
MW188.02 g/mol
LogP1.45
Rot. Bonds

About 5-bromo-4-methyl-1H-pyridin-2-one

5-bromo-4-methyl-1H-pyridin-2-one (PubChem CID 819937) has the molecular formula C6H6BrNO and a molecular weight of 188.02 g/mol. Its IUPAC name is 5-bromo-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-4-methyl-1H-pyridin-2-one
PubChem CID819937
Molecular FormulaC6H6BrNO
Molecular Weight188.02 g/mol
Exact Mass186.96
IUPAC Name5-bromo-4-methyl-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1Br
InChIInChI=1S/C6H6BrNO/c1-4-2-6(9)8-3-5(4)7/h2-3H,1H3,(H,8,9)
InChIKeyBYGNXKDNIFHZHQ-UHFFFAOYSA-N
XLogP1.45
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.02
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-4-methyl-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-1H-pyridin-2-one?
The IUPAC name of 5-bromo-4-methyl-1H-pyridin-2-one (CID 819937) is 5-bromo-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-4-methyl-1H-pyridin-2-one is Cc1cc(=O)[nH]cc1Br.
What is the InChIKey of 5-bromo-4-methyl-1H-pyridin-2-one?
The InChIKey is BYGNXKDNIFHZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO/c1-4-2-6(9)8-3-5(4)7/h2-3H,1H3,(H,8,9).
What are the key properties of 5-bromo-4-methyl-1H-pyridin-2-one?
5-bromo-4-methyl-1H-pyridin-2-one has a molecular weight of 188.02 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 819937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).