Basic information
- Standard SMILES
CSc1ccc(Nc2cc(C(=O)O)ccn2)cc1- InChIKey
HKMHWWKTPXHLJI-UHFFFAOYSA-N- Molecular formula
- C13H12N2O2S
- Average molar mass
- 260.31 g/mol
Names & identifiers
- Preferred name
- 2-[[4-(Methylthio)phenyl]amino]isonicotinic acid
- IUPAC
- 2-(4-methylsulfanylanilino)pyridine-4-carboxylic acid
Names & synonyms
SCHEMBL3493071HKMHWWKTPXHLJI-UHFFFAOYSA-NAKOS0002147882-[[4-(methylthio)phenyl]amino]isonicotinic acid
Database identifiers
- PubChem CID
- 28400355
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 280
Related reactions
3 records
Compound notes
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