chempirical

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

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 3-Pyridinesulfonyl chloride16133-25-855 % similar Pyridinium P-toluenesulfonate24057-28-151 % 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 2,6-Naphthalenedisulfonic acid581-75-942 % similar

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

Same formula

Sulfur trioxide pyridine complex26412-87-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook