3-Pyridinesulfonic acid

C5H5NO3SCAS 636-73-7159.16 g/mol

Open in Covalent MOL file
OSOOHN
Sulfonic acid

Properties

Molecular formula
C5H5NO3S
Molar mass
159.16 g/mol
Exact mass
158.9990 Da
Melting point
357 °C (decomposes)
logP
0.33Crippen estimate
Polar surface area
67.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 149 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number
636-73-7
SMILES
O=S(=O)(O)c1cccnc1
InChIKey
DVECLMOWYVDJRM-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NO3S/c7-10(8,9)5-2-1-3-6-4-5/h1-4H,(H,7,8,9)

Weigh it out

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

Names and synonyms

4 names
  • 3-Pyridylsulfonic acid
  • β-Sulfopyridine
  • 3-Sulfopyridine
  • NSC 246058

Work with 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

Benzenesulfonic acid98-11-356 % similar Pyridine-3-sulfonyl chloride16133-25-855 % similar Pyridinium p-toluenesulfonate24057-28-151 % similar 6-Aminopyridine-3-sulfonic acid16250-08-147 % similar 5-Isoquinolinesulfonic acid27655-40-946 % similar (1,1'-Biphenyl)-4,4'-disulfonic acid5314-37-445 % similar Metanilic acid121-47-144 % similar (1,1'-Biphenyl)-4-sulfonic acid2113-68-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pyridine-2-sulfonic acid15103-48-7 Sulfur trioxide pyridine complex26412-87-3 4-Pyridinesulphonic acid5402-20-0

Elsewhere

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