3-bromo-3H-pyridazin-6-one

C4H3BrN2O — CID 78174474

IUPAC3-bromo-3H-pyridazin-6-one
SMILESO=C1C=CC(Br)N=N1
InChIInChI=1S/C4H3BrN2O/c5-3-1-2-4(8)7-6-3/h1-3H
InChIKeyRXPXGXVULXAFCW-UHFFFAOYSA-N
MW174.99 g/mol
LogP1.26
Rot. Bonds

About 3-bromo-3H-pyridazin-6-one

3-bromo-3H-pyridazin-6-one (PubChem CID 78174474) has the molecular formula C4H3BrN2O and a molecular weight of 174.99 g/mol. Its IUPAC name is 3-bromo-3H-pyridazin-6-one.

Molecular Properties

Compound Name3-bromo-3H-pyridazin-6-one
PubChem CID78174474
Molecular FormulaC4H3BrN2O
Molecular Weight174.99 g/mol
Exact Mass173.94
IUPAC Name3-bromo-3H-pyridazin-6-one
SMILESO=C1C=CC(Br)N=N1
InChIInChI=1S/C4H3BrN2O/c5-3-1-2-4(8)7-6-3/h1-3H
InChIKeyRXPXGXVULXAFCW-UHFFFAOYSA-N
XLogP1.26
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.99
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-oxo-3H-pyridazine-3-carboxamide
CID 71628596
3-phenyl-3H-pyridazin-6-one
CID 86287397
3-pyridin-4-yl-3H-pyridazin-6-one
CID 24870137
CID 77413405
CID 77413405
3-(3,4-dimethylphenyl)-3H-pyridazin-6-one
CID 71652064
hydrazine;pyrazol-3-one
CID 158240948
2-bromo-2H-thiophen-5-one
CID 602030
(1R,2R,4R,5R)-2,4-dibromo-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 129384175
6-bromo-1,6-dihydrobenzimidazol-2-one
CID 71303656
7-chloro-3,3-dimethyl-5-(6-oxo-3H-pyridazin-3-yl)-1H-indol-2-one
CID 172643557
6-oxo-3H-pyridine-3-carbonitrile
CID 71303740
3-methoxy-3H-pyridin-6-one
CID 85437367

Frequently Asked Questions

What is the IUPAC name of 3-bromo-3H-pyridazin-6-one?
The IUPAC name of 3-bromo-3H-pyridazin-6-one (CID 78174474) is 3-bromo-3H-pyridazin-6-one.
What is the SMILES notation for 3-bromo-3H-pyridazin-6-one?
The canonical SMILES for 3-bromo-3H-pyridazin-6-one is O=C1C=CC(Br)N=N1.
What is the InChIKey of 3-bromo-3H-pyridazin-6-one?
The InChIKey is RXPXGXVULXAFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrN2O/c5-3-1-2-4(8)7-6-3/h1-3H.
What are the key properties of 3-bromo-3H-pyridazin-6-one?
3-bromo-3H-pyridazin-6-one has a molecular weight of 174.99 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-3H-pyridazin-6-one is sourced from PubChem (CID 78174474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).