2-Pyridineethanesulfonic acid

C7H9NO3SCAS 68922-18-9187.21 g/mol

Open in Covalent MOL file
OSOOHN
Sulfonic acid

Properties

Molecular formula
C7H9NO3S
Molar mass
187.21 g/mol
Exact mass
187.0303 Da
Melting point
265–266.5 °C
logP
0.51Crippen estimate
Polar surface area
67.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number
68922-18-9
SMILES
O=S(=O)(O)CCc1ccccn1
InChIKey
VRBVUAYEXFCDPE-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO3S/c9-12(10,11)6-4-7-3-1-2-5-8-7/h1-3,5H,4,6H2,(H,9,10,11)

Weigh it out

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

Names and synonyms

3 names
  • 2-Pyridin-2-ylethanesulfonic acid
  • 2-Pyridylethanesulfonic acid
  • NSC 87861

Work with 2-Pyridineethanesulfonic 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

2-Pyridineethanol103-74-253 % similar 2-Pyridinepropanol2859-68-950 % similar Betahistine mesylate54856-23-450 % similar 3-(Pyridin-2-yl)propanoic acid15197-75-849 % similar 2-(3-Phenylpropyl)pyridine2110-18-148 % similar 2-Pyridylethylamine2706-56-148 % similar 2-Propylpyridine622-39-948 % similar 2-Pyridinemethanol586-98-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methoxybenzenesulfonamide1129-26-6 5-Amino-2-methylbenzenesulfonic acid118-88-7 4-Pyridineethanesulfonic acid53054-76-5 3-Amino-4-methylbenzenesulfonic acid618-03-1 (4-Hydroxy-thiazol-2-yl)acetic acid ethyl ester79878-57-2 2-Amino-5-methylbenzenesulfonic acid88-44-8 2-Amino-4-(methylsulfonyl)phenol98-30-6 4-Amino-3-methylbenzenesulfonic acid98-33-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook