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Molecule
Pralidoxime Iodide
CAS: 94-63-3 · C7H9IN2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 94-63-3
- Molecular Formula
- C7H9IN2O
- Molecular Mass
- 264.07 g/mol
Identifiers
CAS Registry Number
94-63-3
SMILES
CN1C=CC=CC1=CN=O.I
InChI Key
QNBVYCDYFJUNLO-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O.HI/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H
Names and Synonyms
- Pralidoxime Iodide Common Name
- Pyridinium, 2-[(hydroxyimino)methyl]-1-methyl-, iodide (1:1) Synonym
- 2-Formyl-1-methylpyridinium iodide oxime Synonym
- Pyridinium, 2-formyl-1-methyl-, iodide, oxime Synonym
- Pyridinium, 2-[(hydroxyimino)methyl]-1-methyl-, iodide Synonym
- 2-PAM Synonym
- 1-Methyl-2-aldoximinopyridinium iodide Synonym
- 1-Methyl-2-hydroxyiminomethylpyridinium iodide Synonym
- N-Methylpyridinium-2-aldoxime iodide Synonym
- PAM Synonym
- Pralidoxime iodide Synonym
- Protopam iodide Synonym
- 2-Pyridine aldoxime iodomethylate Synonym
- 2-Pyridinealdoxime methiodide Synonym
- 2-Pyridine aldoxymethiodide Synonym
- PAM (pharmaceutical) Synonym
- 2-Hydroxyiminomethyl-1-methylpyridinium iodide Synonym
- N-Methylpyridine-2-aldoxime iodide Synonym
- Pyridinium-2-aldoxime N-methyliodide Synonym
- Pralidoxime methiodide Synonym
- 2-Pyridine aldoxime methyl iodide Synonym
- 2-Pyridinecarboxaldehyde aldoxime methiodide Synonym
- 2-Pyridylaldoxime methiodide Synonym
- Pyridine aldoxime methiodide Synonym
- 2-(Hydroximinomethyl)-1-methylpyridinium iodide Synonym
- 2-PAM iodide Synonym
- 2-Pyridinaldoxime methiodide Synonym
- Pralidoxime iodomethylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 264.07 g/mol | CAS Common Chemistry |
| 264.066 g/mol | RDKit | |
| Canonical SMILES | [I-].ON=CC=1C=CC=C[N+]1C | CAS Common Chemistry |
| InChI | InChI=1S/C7H8N2O.HI/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=QNBVYCDYFJUNLO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 225-226 °C | CAS Common Chemistry |
| Name | Pralidoxime iodide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.67 Ų | RDKit |
| 32.44 Ų | chempirical lib | |
| LogP | 2.2275000000000005 | RDKit |
| 2.2275 | RDKit | |
| Molar Refractivity | 55.33600000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 263.975960908 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 264.07 g/mol. Edit any field — others recompute live.
