Pyridine-2-sulfonic acid

C₅H₅NO₃SCAS 15103-48-7159.16 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

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

15103-48-7

SMILES

C1=CC=NC(=C1)S(=O)(=O)O

InChIKey

KZVLNAGYSAKYMG-UHFFFAOYSA-N

InChI

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

2-Pyridinesulfonic acid

Work with Pyridine-2-sulfonic 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

Pyridine-2-sulfonyl chloride66715-65-953 % similar Pyridine-2-sulfonyl fluoride878376-35-353 % similar 2-Difluoromethanesulfonylpyridine1219454-89-348 % similar Fluoromethyl 2-pyridyl sulfone1365765-53-248 % similar 2-Pyridyl tribromomethyl sulfone59626-33-448 % similar Benzenesulfonic acid98-11-346 % similar 2-Pyridinesulfonylacetonitrile170449-34-046 % similar 8-Quinolinesulfonic acid85-48-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Sulfur trioxide pyridine complex26412-87-3 4-Pyridinesulphonic acid5402-20-0 3-Pyridinesulfonic acid636-73-7

Elsewhere

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