Basic information
- Standard SMILES
CC(C)C(CO)Nc1cc(C(F)(F)F)c(C#N)c(Cl)n1- InChIKey
MGDSQDICZPPYDS-UHFFFAOYSA-N- Molecular formula
- C12H13ClF3N3O
- Average molar mass
- 307.7 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-6-[[1-(hydroxymethyl)-2-methyl-propyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
- IUPAC
- 2-chloro-6-[(1-hydroxy-3-methylbutan-2-yl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
Names & synonyms
2-Chloro-6-[[1-(hydroxymethyl)-2-methyl-propyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrileSCHEMBL17824302-Chloro-6-[[1-(hydroxymethyl)-2-methyl-propyl]amino]-4-(trifluoromethyl) pyridine-3-carbonitrile
Database identifiers
- PubChem CID
- 58265083
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 369
Related reactions
6 records
Compound notes
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