4-Hydroxy-3-pyridinesulfonic acid

C₅H₅NO₄SCAS 51498-37-4175.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₅NO₄S
Molar mass: 175.16 g/mol
Exact mass: 174.9939 Da
Melting point: 265 °C
logP: -0.38Crippen estimate
Polar surface area: 87.2 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Identifiers

CAS number

51498-37-4

SMILES

O=c1cc[nH]cc1S(=O)(=O)O

InChIKey

AZRCSTMIVMQIPR-UHFFFAOYSA-N

InChI

InChI=1S/C5H5NO4S/c7-4-1-2-6-3-5(4)11(8,9)10/h1-3H,(H,6,7)(H,8,9,10)

Weigh it out

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

Names and synonyms

1 names

3-Pyridinesulfonic acid, 4-hydroxy-

Work with 4-Hydroxy-3-pyridinesulfonic 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

3-Fluoro-4-pyridinol22282-73-144 % similar 3-Bromo-4-pyridinol36953-41-044 % similar 4-Hydroxynicotinic acid609-70-142 % similar Armstrong'S acid81-04-941 % similar 3-Nitro-4-pyridinol5435-54-138 % similar 2,5-Dimethylbenzenesulfonic acid609-54-138 % similar 2,4-Dimethylbenzenesulfonic acid88-61-938 % similar 1,5-Naphthalenedisulfonic acid, hydrate (1:4)211366-30-237 % similar

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

Elsewhere

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