| CAS Number | 2101710-31-8 |
| Catalog Number | AG01DFI5 |
| Chemical Name | 2-(4-((8-Bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino)-1H-pyrazol-1-yl)acetic acid |
| IUPAC Name | 2-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]acetic acid |
| InChI | InChI=1S/C11H9BrN6O2/c12-8-2-1-3-18-10(8)15-11(16-18)14-7-4-13-17(5-7)6-9(19)20/h1-5H,6H2,(H,14,16)(H,19,20) |
| InChI Key | RCQOLMZPXNXYGT-UHFFFAOYSA-N |
| MDL Number | MFCD31803063 |
| Molecular Formula | C11H9BrN6O2 |
| Molecular Weight | 337.1322 |
| SMILES | OC(=O)Cn1cc(Nc2nc3c(Br)cccn3n2)cn1 |
| Synonyms | 2-(4-((8-BROMO-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-2-YL)AMINO)-1H-PYRAZOL-1-YL)ACETIC ACID,
2101710-31-8,
SCHEMBL18986888,
ZINC642881997,
(R)-5-Bromomethyl-3-Methyl-Oxazolidin-2-One,
|
| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.137g/mol |
| Monoisotopic Mass | 335.997g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 97.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number