Basic information
- Standard SMILES
CNc1cc(B2OC(C)(C)C(C)(C)O2)cnc1F- InChIKey
DIJYIVDFKWNPEO-UHFFFAOYSA-N- Molecular formula
- C12H18BFN2O2
- Average molar mass
- 252.1 g/mol
Names & identifiers
- Preferred name
- [2-Fluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-3-yl]-methyl-amine
- IUPAC
- 2-fluoro-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
Names & synonyms
SCHEMBL3514926DIJYIVDFKWNPEO-UHFFFAOYSA-N[2-fluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-3-yl]-methyl-amine
Database identifiers
- PubChem CID
- 59619630
Properties
Computed structural properties
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 298
Related reactions
2 records
Compound notes
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