Basic information
- Standard SMILES
O=C1c2ccccc2C(O)N1CCSc1ccncc1- InChIKey
GANYCMXYWDHGAF-UHFFFAOYSA-N- Molecular formula
- C15H14N2O2S
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.07759887
Names & identifiers
- Preferred name
- 4-[2-(3-Hydroxyisoindolin-1-on-2-yl)ethylthio]pyridine
- IUPAC
- 3-hydroxy-2-(2-pyridin-4-ylsulfanylethyl)-3H-isoindol-1-one
Names & synonyms
4-(2-(3-hydroxyisoindolin-1-on-2-yl)-ethylthio)pyridine4-[2-(3-hydroxyisoindolin-1-on-2-yl)-ethylthio]pyridineSCHEMBL8616962GANYCMXYWDHGAF-UHFFFAOYSA-N4-[2-(3-hydroxyisoindolin-1-on-2-yl)ethylthio]pyridine
Database identifiers
- PubChem CID
- 19079237
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 347
Related reactions
6 records
Compound notes
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