4-bromo-2-ethylpyridazin-3-one

C6H7BrN2O — CID 117274256

IUPAC4-bromo-2-ethylpyridazin-3-one
SMILESCCn1nccc(Br)c1=O
InChIInChI=1S/C6H7BrN2O/c1-2-9-6(10)5(7)3-4-8-9/h3-4H,2H2,1H3
InChIKeyRCCQTGIFMNJECI-UHFFFAOYSA-N
MW203.04 g/mol
LogP1.03
Rot. Bonds1

About 4-bromo-2-ethylpyridazin-3-one

4-bromo-2-ethylpyridazin-3-one (PubChem CID 117274256) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 4-bromo-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-ethylpyridazin-3-one
PubChem CID117274256
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name4-bromo-2-ethylpyridazin-3-one
SMILESCCn1nccc(Br)c1=O
InChIInChI=1S/C6H7BrN2O/c1-2-9-6(10)5(7)3-4-8-9/h3-4H,2H2,1H3
InChIKeyRCCQTGIFMNJECI-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 4-bromo-2-ethylpyridazin-3-one?
The IUPAC name of 4-bromo-2-ethylpyridazin-3-one (CID 117274256) is 4-bromo-2-ethylpyridazin-3-one.
What is the SMILES notation for 4-bromo-2-ethylpyridazin-3-one?
The canonical SMILES for 4-bromo-2-ethylpyridazin-3-one is CCn1nccc(Br)c1=O.
What is the InChIKey of 4-bromo-2-ethylpyridazin-3-one?
The InChIKey is RCCQTGIFMNJECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-2-9-6(10)5(7)3-4-8-9/h3-4H,2H2,1H3.
What are the key properties of 4-bromo-2-ethylpyridazin-3-one?
4-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 4-bromo-2-ethylpyridazin-3-one is sourced from PubChem (CID 117274256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).