HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 19089130Generated: November 3, 2026
5-Iodo-1H-pyrrole-2-carboxylic acid
5-Iodo-1H-pyrrole-2-carboxylic acid · 1H-Pyrrole-2-carboxylic acid, 5-iodo-
https://huagongshe.com/en/chemical/19089130
Identifiers & Physical Properties
| CAS No. | 149769-81-3 |
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| Molecular formula | C5H4INO2 |
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| Average molar mass | 237 g/mol |
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| Monoisotopic mass | 236.92868 g/mol |
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| SMILES | O=C(O)c1ccc(I)[nH]1 |
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| InChIKey | IONCCJJAVPUBDG-UHFFFAOYSA-N |
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| PubChem CID | 19089130 |
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| DTXSID | DTXSID00597960 |
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Chemical & Physical Properties
| XLogP | 1.3 |
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| Topological polar surface area | 53.1 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 9 |
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| Formal charge | 0 |
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| Complexity | 128 |
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| Boiling point | 420.2±30.0 °C(Predicted) |
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| Density | 2.315±0.06 g/cm3(Predicted) |
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| Storage conditions | under inert gas (nitrogen or Argon) at 2–8 °C |
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| pKa (acidity coefficient) | 4.14±0.10(Predicted) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H315-H319-H335 |
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| GHS precautionary statements | P261-P305+P351+P338 |
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Safety & Regulations
| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H315-H319-H335 |
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| GHS precautionary statements | P261-P305+P351+P338 |
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