4-bromo-2-(2-methoxyethyl)-5-methylpyridazin-3-one

C8H11BrN2O2 — CID 162437696

IUPAC4-bromo-2-(2-methoxyethyl)-5-methylpyridazin-3-one
SMILESCOCCn1ncc(C)c(Br)c1=O
InChIInChI=1S/C8H11BrN2O2/c1-6-5-10-11(3-4-13-2)8(12)7(6)9/h5H,3-4H2,1-2H3
InChIKeySYOXGMLDFUCKFC-UHFFFAOYSA-N
MW247.09 g/mol
LogP0.96
Rot. Bonds3

About 4-bromo-2-(2-methoxyethyl)-5-methylpyridazin-3-one

4-bromo-2-(2-methoxyethyl)-5-methylpyridazin-3-one (PubChem CID 162437696) has the molecular formula C8H11BrN2O2 and a molecular weight of 247.09 g/mol. Its IUPAC name is 4-bromo-2-(2-methoxyethyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(2-methoxyethyl)-5-methylpyridazin-3-one
PubChem CID162437696
Molecular FormulaC8H11BrN2O2
Molecular Weight247.09 g/mol
Exact Mass246.00
IUPAC Name4-bromo-2-(2-methoxyethyl)-5-methylpyridazin-3-one
SMILESCOCCn1ncc(C)c(Br)c1=O
InChIInChI=1S/C8H11BrN2O2/c1-6-5-10-11(3-4-13-2)8(12)7(6)9/h5H,3-4H2,1-2H3
InChIKeySYOXGMLDFUCKFC-UHFFFAOYSA-N
XLogP0.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-methoxyethyl)-5-methylpyridazin-3-one?
The IUPAC name of 4-bromo-2-(2-methoxyethyl)-5-methylpyridazin-3-one (CID 162437696) is 4-bromo-2-(2-methoxyethyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(2-methoxyethyl)-5-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-2-(2-methoxyethyl)-5-methylpyridazin-3-one is COCCn1ncc(C)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-(2-methoxyethyl)-5-methylpyridazin-3-one?
The InChIKey is SYOXGMLDFUCKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2/c1-6-5-10-11(3-4-13-2)8(12)7(6)9/h5H,3-4H2,1-2H3.
What are the key properties of 4-bromo-2-(2-methoxyethyl)-5-methylpyridazin-3-one?
4-bromo-2-(2-methoxyethyl)-5-methylpyridazin-3-one has a molecular weight of 247.09 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-methoxyethyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 162437696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).