4-Bromopyridazine-3,6-diol

C4H3BrN2O2CAS 15456-86-7190.98 g/mol

Open in Covalent MOL file
ONHHNOBr
Aryl halide

Properties

Molecular formula
C4H3BrN2O2
Molar mass
190.98 g/mol
Exact mass
189.9378 Da
logP
-0.17Crippen estimate
Polar surface area
65.7 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
15456-86-7
SMILES
C1=C(C(=O)NNC1=O)Br
InChIKey
BMASTHFFAMGJKZ-UHFFFAOYSA-N
InChI
InChI=1S/C4H3BrN2O2/c5-2-1-3(8)6-7-4(2)9/h1H,(H,6,8)(H,7,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Pyridazine, 3,6-dione, 4-bromo-1,2-dihydro-

Work with 4-Bromopyridazine-3,6-diol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Bromo-2-hydroxy-5-methylpyridine17282-02-941 % similar 4-Bromo-6-chloro-2,3-dihydropyridazin-3-one933041-13-539 % similar 4-Bromo-6-methyl-2H-pyridazin-3-one954240-46-139 % similar 3-Methyl-3-pyrazolin-5-one4344-87-039 % similar 4,5-Dibromopyridazin-3-one5788-58-938 % similar 3-Bromo-2-hydroxy-5-(trifluoromethyl)pyridine76041-73-137 % similar 5-Bromo-2-hydroxy-4-methylpyridine164513-38-636 % similar 6-Bromo-1H-indazol-3-ol885521-92-635 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-1H-pyrazole-3-carboxylic acid1328893-16-8 5-Bromo-4,6-dihydroxypyrimidine15726-38-2 5-Bromouracil51-20-7

Elsewhere

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