US10117858, Example 4
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Basic information
- Standard SMILES
COc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F- InChIKey
USHQRIKZLHNPQR-UHFFFAOYSA-N- Molecular formula
- C12H13F6N3O3
- Average molar mass
- 361.24 g/mol
- Monoisotopic mass
- 361.08611026
Names & identifiers
- Preferred name
- US10117858, Example 4
- IUPAC
- 3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
Names & synonyms
US10117858, Example 4SCHEMBL2371948CHEMBL5096045SCHEMBL29365703US10117858, Example 6BDBM2974003-amino-6-methoxy-5-trifluoromethyl-pyridine-2-carboxylic acid (3,3,3-trifluoro-2-hydroxy-2-methyl-propyl)-amide
Database identifiers
- PubChem CID
- 53472387
- ChEMBL
CHEMBL5096045
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 458
Related reactions
5 records
Compound notes
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