5-bromo-3-methoxy-2-methyl-1H-pyridin-4-one

C7H8BrNO2 — CID 12511611

IUPAC5-bromo-3-methoxy-2-methyl-1H-pyridin-4-one
SMILESCOc1c(C)[nH]cc(Br)c1=O
InChIInChI=1S/C7H8BrNO2/c1-4-7(11-2)6(10)5(8)3-9-4/h3H,1-2H3,(H,9,10)
InChIKeyGWVMUNNIFCHAQV-UHFFFAOYSA-N
MW218.05 g/mol
LogP1.45
Rot. Bonds1

About 5-bromo-3-methoxy-2-methyl-1H-pyridin-4-one

5-bromo-3-methoxy-2-methyl-1H-pyridin-4-one (PubChem CID 12511611) has the molecular formula C7H8BrNO2 and a molecular weight of 218.05 g/mol. Its IUPAC name is 5-bromo-3-methoxy-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-bromo-3-methoxy-2-methyl-1H-pyridin-4-one
PubChem CID12511611
Molecular FormulaC7H8BrNO2
Molecular Weight218.05 g/mol
Exact Mass216.97
IUPAC Name5-bromo-3-methoxy-2-methyl-1H-pyridin-4-one
SMILESCOc1c(C)[nH]cc(Br)c1=O
InChIInChI=1S/C7H8BrNO2/c1-4-7(11-2)6(10)5(8)3-9-4/h3H,1-2H3,(H,9,10)
InChIKeyGWVMUNNIFCHAQV-UHFFFAOYSA-N
XLogP1.45
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-3-methoxy-2-methyl-1H-pyridin-4-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-3-methoxy-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-bromo-3-methoxy-2-methyl-1H-pyridin-4-one (CID 12511611) is 5-bromo-3-methoxy-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-bromo-3-methoxy-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-bromo-3-methoxy-2-methyl-1H-pyridin-4-one is COc1c(C)[nH]cc(Br)c1=O.
What is the InChIKey of 5-bromo-3-methoxy-2-methyl-1H-pyridin-4-one?
The InChIKey is GWVMUNNIFCHAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2/c1-4-7(11-2)6(10)5(8)3-9-4/h3H,1-2H3,(H,9,10).
What are the key properties of 5-bromo-3-methoxy-2-methyl-1H-pyridin-4-one?
5-bromo-3-methoxy-2-methyl-1H-pyridin-4-one has a molecular weight of 218.05 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methoxy-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 12511611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).