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

C6H6BrNO — CID 3725261

IUPAC3-bromo-5-methyl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C6H6BrNO/c1-4-2-5(7)6(9)8-3-4/h2-3H,1H3,(H,8,9)
InChIKeyKHBRMXVUQOVORD-UHFFFAOYSA-N
MW188.02 g/mol
LogP1.45
Rot. Bonds

About 3-bromo-5-methyl-1H-pyridin-2-one

3-bromo-5-methyl-1H-pyridin-2-one (PubChem CID 3725261) has the molecular formula C6H6BrNO and a molecular weight of 188.02 g/mol. Its IUPAC name is 3-bromo-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-5-methyl-1H-pyridin-2-one
PubChem CID3725261
Molecular FormulaC6H6BrNO
Molecular Weight188.02 g/mol
Exact Mass186.96
IUPAC Name3-bromo-5-methyl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C6H6BrNO/c1-4-2-5(7)6(9)8-3-4/h2-3H,1H3,(H,8,9)
InChIKeyKHBRMXVUQOVORD-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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-1H-pyridin-2-one?
The IUPAC name of 3-bromo-5-methyl-1H-pyridin-2-one (CID 3725261) is 3-bromo-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-5-methyl-1H-pyridin-2-one is Cc1c[nH]c(=O)c(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-1H-pyridin-2-one?
The InChIKey is KHBRMXVUQOVORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO/c1-4-2-5(7)6(9)8-3-4/h2-3H,1H3,(H,8,9).
What are the key properties of 3-bromo-5-methyl-1H-pyridin-2-one?
3-bromo-5-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 3-bromo-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 3725261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).