3-Nitrobenzonitrile is a versatile organic compound used as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, and dyes. It is typically synthesized through nitration of benzonitrile with nitric acid in the presence of sulfuric acid. 3-Nitrobenzonitrile exhibits biological activity, particularly as a potent inhibitor of certain enzymes. Its importance lies in its potential for developing novel therapeutic agents. The compound's unique chemical structure and reactivity make it an interesting subject for research in areas like medicinal chemistry and materials science.'
| ID Source | ID |
|---|---|
| PubMed CID | 12079 |
| CHEMBL ID | 57012 |
| SCHEMBL ID | 57152 |
| MeSH ID | M0286301 |
| Synonym |
|---|
| EN300-18272 |
| UPCMLD0ENAT5345030:001 |
| m-cyanonitrobenzene |
| 3-cyanonitrobenzene |
| 619-24-9 |
| benzonitrile, 3-nitro- |
| 3-nitrobenzonitrile |
| nsc-5382 |
| wln: wnr ccn |
| nsc5382 |
| m-nitrobenzonitrile |
| benzonitrile, m-nitro- |
| AC-907/25014352 |
| inchi=1/c7h4n2o2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4 |
| ai3-16310 |
| ccris 2327 |
| einecs 210-587-7 |
| nsc 5382 |
| 3-nitrobenzonitrile, 98% |
| STK260893 |
| AC-10299 |
| AKOS000304441 |
| CHEMBL57012 |
| 3-nitro-benzonitrile |
| N0170 |
| A833486 |
| 3-nitrobenzenecarbonitrile |
| 3-cyano-1-nitrobenzene |
| FT-0616243 |
| PS-4576 |
| SCHEMBL57152 |
| 3-nitrobenzonitril |
| m-nitrocyanobenzene |
| 3-cyanonitrobenzene- |
| DTXSID5060697 |
| W-105077 |
| mfcd00007194 |
| 12402-46-9 |
| D73176 |
| meta-cyanonitrobenzene |
| benzonitrile, 3-nitro-, radical ion(1-) (9ci) |
| CS-0059137 |
| Q63399425 |
| A935271 |
| SY008007 |
| Z57756579 |
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID23714 | Partition coefficient (logP) | 1988 | Journal of medicinal chemistry, Oct, Volume: 31, Issue:10 | A comprehensive method for determining hydrophobicity constants by reversed-phase high-performance liquid chromatography. |
| AID23978 | Capacity ratio (log k'w) | 1988 | Journal of medicinal chemistry, Oct, Volume: 31, Issue:10 | A comprehensive method for determining hydrophobicity constants by reversed-phase high-performance liquid chromatography. |
| AID203473 | Binding constant against bovine serum albumin | 1988 | Journal of medicinal chemistry, Oct, Volume: 31, Issue:10 | A comprehensive method for determining hydrophobicity constants by reversed-phase high-performance liquid chromatography. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 1 (16.67) | 18.7374 |
| 1990's | 1 (16.67) | 18.2507 |
| 2000's | 0 (0.00) | 29.6817 |
| 2010's | 4 (66.67) | 24.3611 |
| 2020's | 0 (0.00) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be moderate demand-to-supply ratio for research on this compound.
| This Compound (28.07) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 0 (0.00%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 6 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||