Pyridinium, 1-[2-[4-(methoxycarbonyl)-2-pyridinyl]-2-oxoethyl]-, iodide
Basic information
- CAS
406164-81-6- Standard SMILES
COC(=O)c1ccnc(C(=O)C[n+]2ccccc2)c1.[I-]- InChIKey
JHXUZICPTRXASC-UHFFFAOYSA-M- Molecular formula
- C14H13IN2O3
- Average molar mass
- 384.17 g/mol
- Monoisotopic mass
- 383.99709
Names & identifiers
- Preferred name
- Pyridinium, 1-[2-[4-(methoxycarbonyl)-2-pyridinyl]-2-oxoethyl]-, iodide
- IUPAC
- methyl 2-(2-pyridin-1-ium-1-ylacetyl)pyridine-4-carboxylate iodide
Names & synonyms
406164-81-6Pyridinium, 1-[2-[4-(methoxycarbonyl)-2-pyridinyl]-2-oxoethyl]-, iodideSCHEMBL28484313DTXSID004694361-{2-[4-(Methoxycarbonyl)pyridin-2-yl]-2-oxoethyl}pyridin-1-ium iodide
Database identifiers
- CAS
406164-81-6- PubChem CID
- 11610674
- DTXSID
DTXSID00469436
Properties
Computed structural properties
- Topological polar surface area
- 60.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 327
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Compound notes
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