| CAS Number | 1955493-81-8 |
| Catalog Number | AG01C5PB |
| Chemical Name | 6-(piperazin-1-yl)pyridine-3-carboxylic acid hydrochloride |
| IUPAC Name | 6-piperazin-1-ylpyridine-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C10H13N3O2.ClH/c14-10(15)8-1-2-9(12-7-8)13-5-3-11-4-6-13;/h1-2,7,11H,3-6H2,(H,14,15);1H |
| InChI Key | IJQWNRSLBKSVEL-UHFFFAOYSA-N |
| MDL Number | MFCD29991464 |
| Molecular Formula | C10H14ClN3O2 |
| Molecular Weight | 243.6901 |
| SMILES | Cl.OC(C1=CN=C(N2CCNCC2)C=C1)=O |
| Synonyms | 6-(piperazin-1-yl)pyridine-3-carboxylic acid hydrochloride,
1955493-81-8,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.691g/mol |
| Monoisotopic Mass | 243.077g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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