| CAS Number | 1352909-37-5 |
| Catalog Number | AG009ZUX(AGN-PC-0WD744) |
| Chemical Name | Methyl 3-bromo-1H-pyrazolo[4,3-b]pyridine-5-carboxylate |
| IUPAC Name | methyl 3-bromo-2H-pyrazolo[4,3-b]pyridine-5-carboxylate |
| InChI | InChI=1S/C8H6BrN3O2/c1-14-8(13)5-3-2-4-6(10-5)7(9)12-11-4/h2-3H,1H3,(H,11,12) |
| InChI Key | FFRDNIFDCCLZNK-UHFFFAOYSA-N |
| MDL Number | MFCD22552926 |
| Molecular Formula | C8H6BrN3O2 |
| Molecular Weight | 256.0561 |
| SMILES | COC(C1=NC2=C(NN=C2Br)C=C1)=O |
| Synonyms | Methyl 3-bromo-1H-pyrazolo[4,3-b]pyridine-5-carboxylate,
1352909-37-5,
SCHEMBL19657731,
KS-000005ZL,
MFCD22552926,
SB15887,
AS-51672,
CS-0049116,
methyl3-bromo-1H-pyrazolo[4,3-b]pyridine-5-carboxylate,
methyl 3-bromo-2H-pyrazolo[4,3-b]pyridine-5-carboxylate,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.059g/mol |
| Monoisotopic Mass | 254.964g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number