2-bromo-1-(6-cyclopropylpyridazin-3-yl)ethanone

C9H9BrN2O — CID 178151140

IUPAC2-bromo-1-(6-cyclopropylpyridazin-3-yl)ethanone
SMILESO=C(CBr)c1ccc(C2CC2)nn1
InChIInChI=1S/C9H9BrN2O/c10-5-9(13)8-4-3-7(11-12-8)6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyCYYFBMICUONQJZ-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.93
Rot. Bonds3

About 2-bromo-1-(6-cyclopropylpyridazin-3-yl)ethanone

2-bromo-1-(6-cyclopropylpyridazin-3-yl)ethanone (PubChem CID 178151140) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 2-bromo-1-(6-cyclopropylpyridazin-3-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(6-cyclopropylpyridazin-3-yl)ethanone
PubChem CID178151140
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name2-bromo-1-(6-cyclopropylpyridazin-3-yl)ethanone
SMILESO=C(CBr)c1ccc(C2CC2)nn1
InChIInChI=1S/C9H9BrN2O/c10-5-9(13)8-4-3-7(11-12-8)6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyCYYFBMICUONQJZ-UHFFFAOYSA-N
XLogP1.93
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(6-cyclopropylpyridazin-3-yl)ethanone?
The IUPAC name of 2-bromo-1-(6-cyclopropylpyridazin-3-yl)ethanone (CID 178151140) is 2-bromo-1-(6-cyclopropylpyridazin-3-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(6-cyclopropylpyridazin-3-yl)ethanone?
The canonical SMILES for 2-bromo-1-(6-cyclopropylpyridazin-3-yl)ethanone is O=C(CBr)c1ccc(C2CC2)nn1.
What is the InChIKey of 2-bromo-1-(6-cyclopropylpyridazin-3-yl)ethanone?
The InChIKey is CYYFBMICUONQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c10-5-9(13)8-4-3-7(11-12-8)6-1-2-6/h3-4,6H,1-2,5H2.
What are the key properties of 2-bromo-1-(6-cyclopropylpyridazin-3-yl)ethanone?
2-bromo-1-(6-cyclopropylpyridazin-3-yl)ethanone has a molecular weight of 241.09 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(6-cyclopropylpyridazin-3-yl)ethanone is sourced from PubChem (CID 178151140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).