2-(3-bromopropyl)pyridazin-3-one

C7H9BrN2O — CID 62849418

IUPAC2-(3-bromopropyl)pyridazin-3-one
SMILESO=c1cccnn1CCCBr
InChIInChI=1S/C7H9BrN2O/c8-4-2-6-10-7(11)3-1-5-9-10/h1,3,5H,2,4,6H2
InChIKeyGBKSGTIMTBGFSO-UHFFFAOYSA-N
MW217.07 g/mol
LogP1.03
Rot. Bonds3

About 2-(3-bromopropyl)pyridazin-3-one

2-(3-bromopropyl)pyridazin-3-one (PubChem CID 62849418) has the molecular formula C7H9BrN2O and a molecular weight of 217.07 g/mol. Its IUPAC name is 2-(3-bromopropyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-bromopropyl)pyridazin-3-one
PubChem CID62849418
Molecular FormulaC7H9BrN2O
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name2-(3-bromopropyl)pyridazin-3-one
SMILESO=c1cccnn1CCCBr
InChIInChI=1S/C7H9BrN2O/c8-4-2-6-10-7(11)3-1-5-9-10/h1,3,5H,2,4,6H2
InChIKeyGBKSGTIMTBGFSO-UHFFFAOYSA-N
XLogP1.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 140120072
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CID 145856738
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CID 165406374
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CID 178412232
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CID 178622798
CID 178622798
CID 62849419
CID 62849419
CID 62849590
CID 62849590

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropyl)pyridazin-3-one?
The IUPAC name of 2-(3-bromopropyl)pyridazin-3-one (CID 62849418) is 2-(3-bromopropyl)pyridazin-3-one.
What is the SMILES notation for 2-(3-bromopropyl)pyridazin-3-one?
The canonical SMILES for 2-(3-bromopropyl)pyridazin-3-one is O=c1cccnn1CCCBr.
What is the InChIKey of 2-(3-bromopropyl)pyridazin-3-one?
The InChIKey is GBKSGTIMTBGFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O/c8-4-2-6-10-7(11)3-1-5-9-10/h1,3,5H,2,4,6H2.
What are the key properties of 2-(3-bromopropyl)pyridazin-3-one?
2-(3-bromopropyl)pyridazin-3-one has a molecular weight of 217.07 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropyl)pyridazin-3-one is sourced from PubChem (CID 62849418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).