6-bromo-5-methoxy-2-methylpyridazin-3-one

C6H7BrN2O2 — CID 146525066

IUPAC6-bromo-5-methoxy-2-methylpyridazin-3-one
SMILESCOc1cc(=O)n(C)nc1Br
InChIInChI=1S/C6H7BrN2O2/c1-9-5(10)3-4(11-2)6(7)8-9/h3H,1-2H3
InChIKeyCNAIYVZGMNVTBL-UHFFFAOYSA-N
MW219.04 g/mol
LogP0.55
Rot. Bonds1

About 6-bromo-5-methoxy-2-methylpyridazin-3-one

6-bromo-5-methoxy-2-methylpyridazin-3-one (PubChem CID 146525066) has the molecular formula C6H7BrN2O2 and a molecular weight of 219.04 g/mol. Its IUPAC name is 6-bromo-5-methoxy-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-bromo-5-methoxy-2-methylpyridazin-3-one
PubChem CID146525066
Molecular FormulaC6H7BrN2O2
Molecular Weight219.04 g/mol
Exact Mass217.97
IUPAC Name6-bromo-5-methoxy-2-methylpyridazin-3-one
SMILESCOc1cc(=O)n(C)nc1Br
InChIInChI=1S/C6H7BrN2O2/c1-9-5(10)3-4(11-2)6(7)8-9/h3H,1-2H3
InChIKeyCNAIYVZGMNVTBL-UHFFFAOYSA-N
XLogP0.55
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-bromo-5-methoxy-2-methylpyridazin-3-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 6-bromo-5-methoxy-2-methylpyridazin-3-one?
The IUPAC name of 6-bromo-5-methoxy-2-methylpyridazin-3-one (CID 146525066) is 6-bromo-5-methoxy-2-methylpyridazin-3-one.
What is the SMILES notation for 6-bromo-5-methoxy-2-methylpyridazin-3-one?
The canonical SMILES for 6-bromo-5-methoxy-2-methylpyridazin-3-one is COc1cc(=O)n(C)nc1Br.
What is the InChIKey of 6-bromo-5-methoxy-2-methylpyridazin-3-one?
The InChIKey is CNAIYVZGMNVTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2/c1-9-5(10)3-4(11-2)6(7)8-9/h3H,1-2H3.
What are the key properties of 6-bromo-5-methoxy-2-methylpyridazin-3-one?
6-bromo-5-methoxy-2-methylpyridazin-3-one has a molecular weight of 219.04 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methoxy-2-methylpyridazin-3-one is sourced from PubChem (CID 146525066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).