4,5-Dibromopyridazin-3(2H)-one - CAS 5788-58-9

Catalog:	BB029859
Product Name:	4,5-Dibromopyridazin-3(2H)-one
CAS:	5788-58-9
Synonyms:	4,5-dibromo-1H-pyridazin-6-one; 4,5-dibromo-1H-pyridazin-6-one

Technical Data

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Computed Properties

IUPAC Name:	4,5-dibromo-1H-pyridazin-6-one
Description:	4,5-Dibromopyridazin-3(2H)-one (CAS# 5788-58-9 ) is a useful research chemical.
Molecular Weight:	253.88
Molecular Formula:	C4H2Br2N2O
Canonical SMILES:	C1=NNC(=O)C(=C1Br)Br
InChI:	InChI=1S/C4H2Br2N2O/c5-2-1-7-8-4(9)3(2)6/h1H,(H,8,9)
InChI Key:	AGLQURQNVJVJNB-UHFFFAOYSA-N
Boiling Point:	365.6 °C at 760 mmHg
Density:	2.53 g/cm³
MDL:	MFCD00023641
LogP:	1.29490

Publication Number	Title	Priority Date
WO-2021127273-A1	1 -((6-oxo-1,6-dihydropyridazin-4-yl)methyl)piperazine and 1 -((6-oxo-1,6-dihydropyrimidin-4-yl)methyl)piperazine derivatives as prolyl hydroxylase, hif-1 alpha and pgk modulators for use in treating inflammatory diseases, cancer or infections	20191220
US-2021130342-A1	Pyridazinones as parp7 inhibitors	20191030
WO-2021087018-A1	Pyridazinones as parp7 inhibitors	20191030
WO-2021087025-A1	Pyridazinones as parp7 inhibitors	20191030
WO-2020223229-A1	Solid forms of a parp7 inhibitor	20190429

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Related Functional Groups

Pyridazines

[19064-64-3]
3,6-Dichloro-4-methylpyridazine
[89179-63-5]
3-Methoxy-4-pyridazinamine
[1187874-30-1]
6-(4-(Piperazin-1-yl)-3-(trifluoromethyl)phenyl)pyridazin-3(2H)-one
[20074-67-3]
Perchloropyridazine
[2163817-03-4]
4-(4,5-Dibromo-6-oxo-1,6-dihydropyridazin-1-yl)benzene-1-sulfonamide
[119-39-1]
Phthalazone

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GHS Hazard Statement:	H301 (84.44%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.85134
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	251.85339
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1