Basic information
- Standard SMILES
CC1(C)OB(c2cnc3c(c(-c4ccc(F)cc4)cn3COCC[Si](C)(C)C)c2Cl)OC1(C)C- InChIKey
FGEHKFAGHVGXLO-UHFFFAOYSA-N- Molecular formula
- C25H33BClFN2O3Si
- Average molar mass
- 502.9 g/mol
- Monoisotopic mass
- 502.2026055
Names & identifiers
- Preferred name
- 4-chloro-3-(4-fluoro-phenyl)-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrrolo[2,3-b]pyridine
- IUPAC
- 2-[[4-chloro-3-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
Names & synonyms
SCHEMBL2110984FGEHKFAGHVGXLO-UHFFFAOYSA-N4-chloro-3-(4-fluoro-phenyl)-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrrolo[2,3-b]pyridine
Database identifiers
- PubChem CID
- 57537544
Properties
Computed structural properties
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 688
Related reactions
3 records
Compound notes
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