4-Cyclopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Basic information
- CAS
1320747-33-8- Standard SMILES
CC1(C)OB(c2cc(C3CC3)ccn2)OC1(C)C- InChIKey
GRIHWIOYYYKGHT-UHFFFAOYSA-N- Molecular formula
- C14H20BNO2
- Average molar mass
- 245.13 g/mol
- Monoisotopic mass
- 245.158709
Names & identifiers
- Preferred name
- 4-Cyclopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
- IUPAC
- 4-cyclopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
- English name
- 4-cyclopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
- Molecular formula
- C14H20BNO2
- Molecular weight
- 245.13
Names & synonyms
1320747-33-84-cyclopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineSCHEMBL17667861DTXSID701156229AKOS015947076CS-32395Pyridine, 4-cyclopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Database identifiers
- CAS
1320747-33-8- PubChem CID
- 45786016
- DTXSID
DTXSID701156229
Properties
Computed structural properties
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Boiling point
- 356.3 · 356.3±30.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 6.31 · 6.31±0.27(Predicted)
- InChI
- InChI=1S/C14H20BNO2/c1-13(2)14(3,4)18-15(17-13)12-9-11(7-8-16-12)10-5-6-10/h7-10H,5-6H2,1-4H3
- InChIKey
- GRIHWIOYYYKGHT-UHFFFAOYSA-N
- SMILES
- C1(B2OC(C)(C)C(C)(C)O2)=NC=CC(C2CC2)=C1
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