| CAS Number | 1483416-17-6 |
| Catalog Number | AG01BEBB |
| Chemical Name | ethyl 5-amino-1-(5-bromopyridin-2-yl)-1H-pyrazole-4-carboxylate |
| IUPAC Name | ethyl 5-amino-1-(5-bromopyridin-2-yl)pyrazole-4-carboxylate |
| InChI | InChI=1S/C11H11BrN4O2/c1-2-18-11(17)8-6-15-16(10(8)13)9-4-3-7(12)5-14-9/h3-6H,2,13H2,1H3 |
| InChI Key | XQIAOFNLOSZVBJ-UHFFFAOYSA-N |
| MDL Number | MFCD21514315 |
| Molecular Formula | C11H11BrN4O2 |
| Molecular Weight | 311.1346 |
| SMILES | CCOC(C1=C(N)N(C2=NC=C(Br)C=C2)N=C1)=O |
| Synonyms | ethyl 5-amino-1-(5-bromopyridin-2-yl)-1H-pyrazole-4-carboxylate,
1483416-17-6,
ZINC87846756,
AKOS014683191,
NE54598,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.139g/mol |
| Monoisotopic Mass | 310.007g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number