6-bromo-2-ethylpyridazin-3-one

C6H7BrN2O — CID 91658676

IUPAC6-bromo-2-ethylpyridazin-3-one
SMILESCCn1nc(Br)ccc1=O
InChIInChI=1S/C6H7BrN2O/c1-2-9-6(10)4-3-5(7)8-9/h3-4H,2H2,1H3
InChIKeyLSDRHEVIBSQDKY-UHFFFAOYSA-N
MW203.04 g/mol
LogP1.03
Rot. Bonds1

About 6-bromo-2-ethylpyridazin-3-one

6-bromo-2-ethylpyridazin-3-one (PubChem CID 91658676) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 6-bromo-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name6-bromo-2-ethylpyridazin-3-one
PubChem CID91658676
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name6-bromo-2-ethylpyridazin-3-one
SMILESCCn1nc(Br)ccc1=O
InChIInChI=1S/C6H7BrN2O/c1-2-9-6(10)4-3-5(7)8-9/h3-4H,2H2,1H3
InChIKeyLSDRHEVIBSQDKY-UHFFFAOYSA-N
XLogP1.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethylpyridazin-3-one?
The IUPAC name of 6-bromo-2-ethylpyridazin-3-one (CID 91658676) is 6-bromo-2-ethylpyridazin-3-one.
What is the SMILES notation for 6-bromo-2-ethylpyridazin-3-one?
The canonical SMILES for 6-bromo-2-ethylpyridazin-3-one is CCn1nc(Br)ccc1=O.
What is the InChIKey of 6-bromo-2-ethylpyridazin-3-one?
The InChIKey is LSDRHEVIBSQDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-2-9-6(10)4-3-5(7)8-9/h3-4H,2H2,1H3.
What are the key properties of 6-bromo-2-ethylpyridazin-3-one?
6-bromo-2-ethylpyridazin-3-one has a molecular weight of 203.04 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethylpyridazin-3-one is sourced from PubChem (CID 91658676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).