Basic information
- CAS
919294-96-5- Standard SMILES
CSc1cccc(Nc2ncc(F)cc2C(=O)O)c1- InChIKey
LYNINASOQRQMRC-UHFFFAOYSA-N- Molecular formula
- C13H11FN2O2S
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.05252693
Names & identifiers
- Preferred name
- 5-Fluoro-2-[3-(methylsulfanyl)anilino]pyridine-3-carboxylic acid
- IUPAC
- 5-fluoro-2-(3-methylsulfanylanilino)pyridine-3-carboxylic acid
Names & synonyms
919294-96-5SCHEMBL4874399DTXSID40740039LYNINASOQRQMRC-UHFFFAOYSA-N5-Fluoro-2-[3-(methylsulfanyl)anilino]pyridine-3-carboxylic acid5-Fluoro-2-{[3-(methylthio)phenyl]amino}nicotinic acid
Database identifiers
- CAS
919294-96-5- PubChem CID
- 69225083
- DTXSID
DTXSID40740039
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…