Basic information
- CAS
2225176-59-8- Standard SMILES
[2H]C([2H])([2H])c1cc(B(O)O)cnc1C([2H])([2H])C([2H])([2H])[2H]- InChIKey
UDHBAWLDULAVKH-AUOAYUKBSA-N- Molecular formula
- C8H12BNO2
- Average molar mass
- 173.05 g/mol
- Monoisotopic mass
- 173.1463228
Names & identifiers
- Preferred name
- (5-Methyl-6-ethyl-d8)-pyridine-3-boronic acid
- IUPAC
- [6-(1,1,2,2,2-pentadeuterioethyl)-5-(trideuteriomethyl)-3-pyridinyl]boronic acid
Names & synonyms
(5-Methyl-6-ethyl-d8)-pyridine-3-boronic acidCS-179482225176-59-8
Database identifiers
- CAS
2225176-59-8- PubChem CID
- 133554635
Properties
Computed structural properties
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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