Basic information
- CAS
13422-16-7- Standard SMILES
O=C(O)c1cnccc1Nc1cccc(C(F)(F)F)c1- InChIKey
NLBIKXOJCISNQP-UHFFFAOYSA-N- Molecular formula
- C13H9F3N2O2
- Average molar mass
- 282.22 g/mol
- Monoisotopic mass
- 282.06161202
Overview
Triflocin is a small molecule drug. Triflocin has a monoisotopic molecular weight of 282.06 Da.
Names & identifiers
- Preferred name
- Triflocin
- IUPAC
- 4-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
- English name
- Triflocin
- Molecular formula
- C13H9F3N2O2
- Molecular weight
- 282.22
Names & synonyms
TRIFLOCIN13422-16-7TriflocineTriflocinumTriflocinaS01B3A38SKCL-65562CL 65,562DTXSID808644003-Pyridinecarboxylic acid, 4-((3-(trifluoromethyl)phenyl)amino)-RefChem:933398DTXCID70200414
Show more names
4-[3-(trifluoromethyl)anilino]nicotinic acid4-(α,α,α-Trifluoro-m-toluidino)nicotinic acid4-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acid3-Pyridinecarboxylic acid, 4-[[3-(trifluoromethyl)phenyl]amino]-
4-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid4-((3-(Trifluoromethyl)phenyl)amino)nicotinic acidTriflocinoTriflocino [INN-Spanish]Triflocin [USAN:INN]Triflocine [INN-French]Triflocinum [INN-Latin]UNII-S01B3A38SK
Database identifiers
- CAS
13422-16-7- PubChem CID
- 25969
- DTXSID
DTXSID80864400- ChEMBL
CHEMBL2104493- UNII
- S01B3A38SK
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- FDA UNII
- 1 B3A38SK · S01B3A38SK
Chemistry & industry
Applications
UsesDiuretic.
Suppliers1 total
西安峥豪生物科技有限责任公司19829389091 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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