| CAS Number | 1628459-82-4 |
| Catalog Number | AG001TGS(AGN-PC-0WNGTV) |
| Chemical Name | 1H-Pyrazolo[3,4-b]pyridine, 4,6-dichloro-1-(1-methylethyl)- |
| IUPAC Name | 4,6-dichloro-1-propan-2-ylpyrazolo[3,4-b]pyridine |
| InChI | InChI=1S/C9H9Cl2N3/c1-5(2)14-9-6(4-12-14)7(10)3-8(11)13-9/h3-5H,1-2H3 |
| InChI Key | WFPOMKLPLPPWKL-UHFFFAOYSA-N |
| MDL Number | MFCD27938312 |
| Molecular Formula | C9H9Cl2N3 |
| Molecular Weight | 230.0939 |
| SMILES | CC(N1N=CC2=C(Cl)C=C(Cl)N=C21)C |
| Synonyms | 4,6-Dichloro-1-isopropyl-1H-pyrazolo[3,4-b]pyridine,
1628459-82-4,
SCHEMBL16057633,
WFPOMKLPLPPWKL-UHFFFAOYSA-N,
MFCD27938312,
ZINC218463986,
SB16053,
KS-0000060X,
AS-52013,
CS-0051104,
4,6-dichloro-1-propan-2-ylpyrazolo[3,4-b]pyridine,
1H-?Pyrazolo[3,?4-?b]?pyridine, 4,?6-?dichloro-?1-?(1-?methylethyl)?-,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.092g/mol |
| Monoisotopic Mass | 229.017g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number