Basic information
- Standard SMILES
COC(=O)c1ccc(S(=O)Cc2cccc(Cl)c2)cn1- InChIKey
DPUWYHYJLJXSAV-UHFFFAOYSA-N- Molecular formula
- C14H12ClNO3S
- Average molar mass
- 309.8 g/mol
Names & identifiers
- Preferred name
- 5-(m-Chlorobenzylsulfinyl)-2-pyridinecarboxylic acid methyl ester
- IUPAC
- methyl 5-[(3-chlorophenyl)methylsulfinyl]pyridine-2-carboxylate
Names & synonyms
SCHEMBL11669948DPUWYHYJLJXSAV-UHFFFAOYSA-N5-(m-chlorobenzylsulfinyl)-2-pyridinecarboxylic acid methyl ester
Database identifiers
- PubChem CID
- 53772802
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Related reactions
5 records
Linked notes
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