4-(6-Chloro-5-cyano-4-(methylthio)pyridin-2-yl)benzoic acid

HCID 86665699
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CSc1cc(-c2ccc(C(=O)O)cc2)nc(Cl)c1C#N
InChIKey
HYHKCXOYJWBKHQ-UHFFFAOYSA-N
Molecular formula
C14H9ClN2O2S
Average molar mass
304.8 g/mol
Monoisotopic mass
304.0073264

Names & identifiers

Preferred name
4-(6-Chloro-5-cyano-4-(methylthio)pyridin-2-yl)benzoic acid
IUPAC
4-(6-chloro-5-cyano-4-methylsulfanyl-2-pyridinyl)benzoic acid

Names & synonyms

SCHEMBL1162831HYHKCXOYJWBKHQ-UHFFFAOYSA-N4-(6-chloro-5-cyano-4-(methylthio)pyridin-2-yl)benzoic acid

Database identifiers

PubChem CID
86665699

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
99.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
20

Related reactions

2 records
New reaction record

Compound notes

Loading…