| CAS Number | 1193389-34-2 |
| Catalog Number | AG019VZT |
| Chemical Name | 2-(1H-imidazol-1-yl)pyridine-4-carboxylic acid hydrochloride |
| IUPAC Name | 2-imidazol-1-ylpyridine-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C9H7N3O2.ClH/c13-9(14)7-1-2-11-8(5-7)12-4-3-10-6-12;/h1-6H,(H,13,14);1H |
| InChI Key | BXXPOAQQCDLRLI-UHFFFAOYSA-N |
| MDL Number | MFCD12197386 |
| Molecular Formula | C9H8ClN3O2 |
| Molecular Weight | 225.6317 |
| SMILES | Cl.OC(C1=CC(N2C=NC=C2)=NC=C1)=O |
| Synonyms | 2-(1H-imidazol-1-yl)pyridine-4-carboxylic acid hydrochloride,
1193389-34-2,
AC1Q3EXK,
CTK7J0357,
MCULE-7264156939,
NE20056,
EN300-49999,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.632g/mol |
| Monoisotopic Mass | 225.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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