Basic information
- Standard SMILES
C[C@H](Oc1cc(C(=O)O)ncc1C1CC1)C(F)(F)F- InChIKey
AFBIPECVOGSQEG-LURJTMIESA-N- Molecular formula
- C12H12F3NO3
- Average molar mass
- 275.22 g/mol
- Monoisotopic mass
- 275.07692773
Names & identifiers
- Preferred name
- 5-Cyclopropyl-4-((S)-2,2,2-trifluoro-1-methyl-ethoxy)-pyridine-2-carboxylic acid
- IUPAC
- 5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxylic acid
Names & synonyms
5-Cyclopropyl-4-((S)-2,2,2-trifluoro-1-methyl-ethoxy)-pyridine-2-carboxylic acidSCHEMBL15777535
Database identifiers
- PubChem CID
- 90204573
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Related reactions
13 records
Compound notes
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