| CAS Number | 1936091-10-9 |
| Catalog Number | AG01BXQL |
| Chemical Name | 5-(1H-Pyrazol-4-yl)pyridine-2-carboxylic acid |
| IUPAC Name | 5-(1H-pyrazol-4-yl)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C9H7N3O2/c13-9(14)8-2-1-6(3-10-8)7-4-11-12-5-7/h1-5H,(H,11,12)(H,13,14) |
| InChI Key | YZFJETWDYQQOGS-UHFFFAOYSA-N |
| MDL Number | MFCD22411659 |
| Molecular Formula | C9H7N3O2 |
| Molecular Weight | 189.1708 |
| SMILES | N1N=CC(=C1)C=1C=CC(=NC1)C(=O)O |
| Synonyms | 5-(1H-Pyrazol-4-yl)pyridine-2-carboxylic acid,
1936091-10-9,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.053826g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.17g/mol |
| Monoisotopic Mass | 189.053826g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
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