4-Hydroxy-3-pyridinesulfonic acid

C₅H₅NO₄SCAS 51498-37-4175.16 g/mol

Open in Covalent MOL file

Sulfonic acid

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

Hazards

Danger

H314 Causes severe skin burns and eye damage63.6% of notifiers
H315 Causes skin irritation18.2% of notifiers
H318 Causes serious eye damage18.2% of notifiers
H319 Causes serious eye irritation36.4% of notifiers

Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P332+P317, P337+P317, P362+P364, P363, P405, P501

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

2 names

3-Pyridinesulfonic acid, 4-hydroxy-
4-Hydroxy-3-pyridinesulphonic acid

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-Chloro-4-hydroxypyridine89284-20-845 % similar 3-Methyl-4-hydroxypyridine22280-02-044 % similar 3-Fluoro-4-pyridinol22282-73-144 % similar 3-Bromo-4-pyridinol36953-41-044 % similar 3-Aminopyridin-4-ol6320-39-444 % similar 4-Hydroxynicotinic acid609-70-142 % similar Armstrong's acid81-04-941 % similar 3-Nitro-4-pyridinol5435-54-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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