4-Pyridinesulphonic acid

C₅H₅NO₃SCAS 5402-20-0159.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₅NO₃S
Molar mass: 159.16 g/mol
Exact mass: 158.9990 Da
logP: 0.33Crippen estimate
Polar surface area: 67.3 Å²
H-bond donors / acceptors: 1 / 3
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

5402-20-0

SMILES

C1=CN=CC=C1S(=O)(=O)O

InChIKey

PTWLOSARXIJRRJ-UHFFFAOYSA-N

InChI

InChI=1S/C5H5NO3S/c7-10(8,9)5-1-3-6-4-2-5/h1-4H,(H,7,8,9)

Weigh it out

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

Names and synonyms

1 names

4-Pyridinesulfonic acid

Reactions

4-Pyridinesulfonic acidproduct

Work with 4-Pyridinesulphonic 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

[1,1′-Biphenyl]-4,4′-disulfonic acid5314-37-458 % similar Benzenesulfonic acid98-11-358 % similar Pyridinium p-toluenesulfonate24057-28-158 % similar 4-Hydroxybenzenesulfonic acid98-67-954 % similar p-Toluenesulfonic acid104-15-452 % similar Sulfanilic acid121-57-352 % similar 4-Iodobenzenesulphonic acid13035-63-752 % similar 4-Fluorobenzenesulfonic acid368-88-752 % 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 3-Pyridinesulfonic acid636-73-7

Elsewhere

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