Basic information
- CAS
896447-73-7- Standard SMILES
Nc1c(C(=O)O)sc2nccc(C(F)(F)F)c12- InChIKey
RVXBAZAWNDLYSI-UHFFFAOYSA-N- Molecular formula
- C9H5F3N2O2S
- Average molar mass
- 262.21 g/mol
- Monoisotopic mass
- 262.00238307
Names & identifiers
- Preferred name
- 3-Amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
- IUPAC
- 3-amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
Names & synonyms
3-amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acidSCHEMBL4895572DTXSID701164624896447-73-7
Database identifiers
- CAS
896447-73-7- PubChem CID
- 11680502
- DTXSID
DTXSID701164624
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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