| CAS Number | 1209458-66-1 |
| Catalog Number | AG01BHG8(AGN-PC-0WOWG4) |
| Chemical Name | 3-bromo-5-(1H-pyrazol-1-yl)pyridine |
| IUPAC Name | 3-bromo-5-pyrazol-1-ylpyridine |
| InChI | InChI=1S/C8H6BrN3/c9-7-4-8(6-10-5-7)12-3-1-2-11-12/h1-6H |
| InChI Key | QSBMUGHGWPSMLJ-UHFFFAOYSA-N |
| MDL Number | MFCD14702747 |
| Molecular Formula | C8H6BrN3 |
| Molecular Weight | 224.0573 |
| SMILES | BrC1=CC(N2N=CC=C2)=CN=C1 |
| Synonyms | 3-BROMO-5-(1H-PYRAZOL-1-YL)PYRIDINE,
1209458-66-1,
SCHEMBL10153195,
ZINC72192785,
AKOS015946559,
MB14160,
DA-14374,
FT-0719918,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.061g/mol |
| Monoisotopic Mass | 222.975g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number