| CAS Number | 1588769-41-8 |
| Catalog Number | AG01C2GY |
| Chemical Name | {[1,2,4]triazolo[4,3-a]pyridin-6-yl}boronic acid |
| IUPAC Name | [1,2,4]triazolo[4,3-a]pyridin-6-ylboronic acid |
| InChI | InChI=1S/C6H6BN3O2/c11-7(12)5-1-2-6-9-8-4-10(6)3-5/h1-4,11-12H |
| InChI Key | LNJFEDPCIDRFNQ-UHFFFAOYSA-N |
| MDL Number | MFCD26938321 |
| Molecular Formula | C6H6BN3O2 |
| Molecular Weight | 162.9417 |
| SMILES | N=1N=CN2C1C=CC(=C2)B(O)O |
| Synonyms | {[1,2,4]triazolo[4,3-a]pyridin-6-yl}boronic acid,
1588769-41-8,
ZINC238649309,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.943g/mol |
| Monoisotopic Mass | 163.055g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number