chempirical

6-Amino-5-bromopyridine-3-sulfonic acid

C5H5BrN2O3SCAS 247582-62-3253.07 g/mol

Open in Covalent MOL file
NBrH2NSOOHO
Aryl halidePrimary amineSulfonic acid

Properties

Molecular formula
C5H5BrN2O3S
Molar mass
253.07 g/mol
Exact mass
251.9204 Da
logP
0.67Crippen estimate
Polar surface area
93.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
247582-62-3
SMILES
C1=C(C=NC(=C1Br)N)S(=O)(=O)O
InChIKey
AQPIHLQSXPSMHZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H5BrN2O3S/c6-4-1-3(12(9,10)11)2-8-5(4)7/h1-2H,(H2,7,8)(H,9,10,11)

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Work with 6-Amino-5-bromopyridine-3-sulfonic acid

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

2-Amino-3,5-dibromopyridine35486-42-149 % similar 6-Aminopyridine-3-sulfonic acid16250-08-147 % similar 2-Amino-3-bromo-5-methylpyridine17282-00-746 % similar 3-Bromo-5-chloropyridin-2-amine26163-03-146 % similar 3-Bromo-5-iodo-2-pyridinamine697300-73-546 % similar 3-Bromo-5-fluoro-2-pyridinamine869557-43-746 % similar 3-Bromo-5-nitro-2-pyridinamine15862-31-443 % similar 6-Amino-5-bromo-3-pyridinecarbonitrile477871-32-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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