3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-YL)isonicotinamide
Basic information
- CAS
1310384-92-9- Standard SMILES
CC1(C)OB(c2cnccc2C(N)=O)OC1(C)C- InChIKey
UTLIRQADTAFQCY-UHFFFAOYSA-N- Molecular formula
- C12H17BN2O3
- Average molar mass
- 248.09 g/mol
- Monoisotopic mass
- 248.1332226
Names & identifiers
- Preferred name
- 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-YL)isonicotinamide
- IUPAC
- 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4-carboxamide
- English name
- 4-CarbaMoylpyridine-3-boronic acid pinacol ester
- Molecular formula
- C12H17BN2O3
- Molecular weight
- 248.09
Names & synonyms
1310384-92-93-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISONICOTINAMIDE4-CARBAMOYLPYRIDINE-3-BORONIC ACID PINACOL ESTER3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4-carboxamideMFCD118782483-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-pyridinecarboxamideDTXSID601156795AKOS015950130FD10376MB10964CS-0356873Isonicotinamide-3-boronic acid pinacol ester
Show more names
4-Pyridinecarboxamide, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Database identifiers
- CAS
1310384-92-9- PubChem CID
- 53398523
- DTXSID
DTXSID601156795
Properties
Computed structural properties
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
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Related reactions
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Compound notes
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