| CAS Number | 1357946-78-1 |
| Catalog Number | AG00A033(AGN-PC-0WCY33) |
| Chemical Name | 3,5-Dibromo-1H-pyrazolo[3,4-c]pyridine |
| IUPAC Name | 3,5-dibromo-2H-pyrazolo[3,4-c]pyridine |
| InChI | InChI=1S/C6H3Br2N3/c7-5-1-3-4(2-9-5)10-11-6(3)8/h1-2H,(H,10,11) |
| InChI Key | LPMZFUHPYDXSNV-UHFFFAOYSA-N |
| MDL Number | MFCD22380434 |
| Molecular Formula | C6H3Br2N3 |
| Molecular Weight | 276.9161 |
| SMILES | BrC1=CC2=C(NN=C2Br)C=N1 |
| Synonyms | 3,5-Dibromo-1H-pyrazolo[3,4-c]pyridine,
1357946-78-1,
MFCD22380434,
ZINC85999868,
FCH1616920,
AK199888,
AS-40971,
AX8328823,
3,5-Dibromo-1H-pyrazolo[3,4-c]pyridine, AldrichCPR,
3,5-dibromo-1H-pyrazolo[3,4-c]pyridine, 95% - 1G 1g,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.867g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.919g/mol |
| Monoisotopic Mass | 274.869g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P301+P310
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number