Basic information
- Standard SMILES
CCCCNc1nc(C(F)(F)F)ccc1C=CC(=O)O- InChIKey
DYYKOSYOVOOGTH-UHFFFAOYSA-N- Molecular formula
- C13H15F3N2O2
- Average molar mass
- 288.27 g/mol
- Monoisotopic mass
- 288.10856221
Names & identifiers
- Preferred name
- 3-[2-(Butylamino)-6-(trifluoromethyl)pyridin-3-yl]prop-2-enoic acid
- IUPAC
- 3-[2-(butylamino)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid
Names & synonyms
SCHEMBL3781944DYYKOSYOVOOGTH-UHFFFAOYSA-N3-[2-(butylamino)-6-(trifluoromethyl)pyridin-3-yl]prop-2-enoic acid
Database identifiers
- PubChem CID
- 68784387
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 345
Related reactions
3 records
Compound notes
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