Basic information
- CAS
20062-43-5- Standard SMILES
O=C(OCC1=C[NH2+]C=[NH+]1)c1ccncc1.[Cl-].[Cl-]- InChIKey
CETWQGYOZMPKGA-UHFFFAOYSA-N- Molecular formula
- C10H11Cl2N3O2
- Average molar mass
- 276.12 g/mol
- Monoisotopic mass
- 275.022832
Names & identifiers
- Preferred name
- (1H-Imidazol-5-yl)methyl pyridine-4-carboxylate--hydrogen chloride (1/2)
- IUPAC
- 1H-imidazole-1,3-diium-4-ylmethyl pyridine-4-carboxylate dichloride
Names & synonyms
DTXSID60942073(1H-Imidazol-5-yl)methyl pyridine-4-carboxylate--hydrogen chloride (1/2)RefChem:1049398DTXCID201370490ISONICOTINIC ACID, IMIDAZOL-4-YLMETHYL ESTER, DIHYDROCHLORIDE20062-43-5Imidazole-4-methanol, isonicotinate (ester), dihydrochloride
Database identifiers
- CAS
20062-43-5- PubChem CID
- 29927
Properties
Computed structural properties
- Topological polar surface area
- 69.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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