3-Amino-6-(4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl)-4-(methylamino)-picolinonitrile
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Basic information
- Standard SMILES
CNc1cc(-c2ccc(OCCO)c(C(F)(F)F)c2)nc(C#N)c1N- InChIKey
PBHZRBQQVSPVIF-UHFFFAOYSA-N- Molecular formula
- C16H15F3N4O2
- Average molar mass
- 352.31 g/mol
Names & identifiers
- Preferred name
- 3-Amino-6-(4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl)-4-(methylamino)-picolinonitrile
- IUPAC
- 3-amino-6-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-4-(methylamino)pyridine-2-carbonitrile
Names & synonyms
3-Amino-6-(4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl)-4-(methylamino)-picolinonitrileSCHEMBL135841333-amino-6-(4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl)-4-(methylamino)picolinonitrile
Database identifiers
- PubChem CID
- 70945129
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 482
Related reactions
2 records
Compound notes
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