| CAS Number | 1183510-48-6 |
| Catalog Number | AG01AP3Y |
| Chemical Name | 2-(4-bromo-1H-pyrazol-1-yl)pyridine-3-carboxylic acid |
| IUPAC Name | 2-(4-bromopyrazol-1-yl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C9H6BrN3O2/c10-6-4-12-13(5-6)8-7(9(14)15)2-1-3-11-8/h1-5H,(H,14,15) |
| InChI Key | WSLOZLMCXHFTSK-UHFFFAOYSA-N |
| MDL Number | MFCD12823039 |
| Molecular Formula | C9H6BrN3O2 |
| Molecular Weight | 268.0668 |
| SMILES | OC(C1=C(N2N=CC(Br)=C2)N=CC=C1)=O |
| Synonyms | 2-(4-bromo-1H-pyrazol-1-yl)pyridine-3-carboxylic acid,
1183510-48-6,
ZINC38054205,
AKOS006162411,
Z2235409159,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.07g/mol |
| Monoisotopic Mass | 266.964g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number