2-(1,3-Dioxolan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Basic information
- CAS
1309982-39-5- Standard SMILES
CC1(C)OB(c2ccc(C3OCCO3)nc2)OC1(C)C- InChIKey
WNNGBTVWYXWIEC-UHFFFAOYSA-N- Molecular formula
- C14H20BNO4
- Average molar mass
- 277.13 g/mol
- Monoisotopic mass
- 277.1485383
Names & identifiers
- Preferred name
- 2-(1,3-Dioxolan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
- IUPAC
- 2-(1,3-dioxolan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
- English name
- 6-(1,3-Dioxolan-2-yl)pyridine-3-boronic acid pinacol ester
- Molecular formula
- C14H20BNO4
- Molecular weight
- 277.12
Names & synonyms
1309982-39-52-(1,3-Dioxolan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine6-(1,3-Dioxolan-2-yl)pyridine-3-boronic acid pinacol esterMFCD12198148Pyridine, 2-(1,3-dioxolan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-DTXSID50694493AKOS015950030FD10333PS-12953SY255337CS-0329053
Database identifiers
- CAS
1309982-39-5- PubChem CID
- 53398539
- DTXSID
DTXSID50694493
Properties
Computed structural properties
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- Boiling point
- 396.8 · 396.8±42.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4 · 4+-.0.31(Predicted)
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