Cas no 123846-67-3 (3-methyl-5-nitro-2-Pyridineacetonitrile)
3-Methyl-5-nitro-2-pyridineacetonitrile is a nitropyridine derivative with significant utility in organic synthesis and pharmaceutical research. Its structure, featuring a nitrile group and a nitro-substituted pyridine ring, makes it a versatile intermediate for constructing complex heterocyclic compounds. The electron-withdrawing nitro group enhances reactivity in nucleophilic substitution and reduction reactions, while the nitrile functionality allows further derivatization. This compound is particularly valuable in medicinal chemistry for developing bioactive molecules due to its ability to serve as a scaffold for pharmacophores. High purity and stability under standard conditions ensure reliable performance in synthetic applications. Its well-defined properties facilitate precise control in multi-step synthesis.
123846-67-3 structure
Product Name:3-methyl-5-nitro-2-Pyridineacetonitrile
CAS No:123846-67-3
MF:C8H7N3O2
MW:177.160081148148
CID:1102758
PubChem ID:14381144
Update Time:2025-10-15
3-methyl-5-nitro-2-Pyridineacetonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-methyl-5-nitro-2-Pyridineacetonitrile
- (3-Methyl-5-nitro-pyridin-2-yl)-acetonitrile
- 2-(3-methyl-5-nitropyridin-2-yl)acetonitrile
- 123846-67-3
- AKOS012506288
- AB64832
- DTXSID501281468
- 2-Pyridineacetonitrile, 3-methyl-5-nitro-
-
- MDL： MFCD11848720
- Inchi： 1S/C8H7N3O2/c1-6-4-7(11(12)13)5-10-8(6)2-3-9/h4-5H,2H2,1H3
- InChI Key： ZLJHIKPSNBXLBU-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CN=C(CC#N)C(C)=C1)=O
Computed Properties
- Exact Mass: 177.053826475g/mol
- Monoisotopic Mass: 177.053826475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 240
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 82.5?2
3-methyl-5-nitro-2-Pyridineacetonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A029184510-1g |
2-(3-Methyl-5-nitropyridin-2-yl)acetonitrile |
123846-67-3 | 97% | 1g |
$492.20 | 2023-09-03 | |
| Cooke Chemical | BD0035048-1g |
2-(3-Methyl-5-nitropyridin-2-yl)acetonitrile |
123846-67-3 | 97% | 1g |
RMB 2587.20 | 2025-02-21 | |
| Crysdot LLC | CD11319246-1g |
2-(3-Methyl-5-nitropyridin-2-yl)acetonitrile |
123846-67-3 | 97% | 1g |
$460 | 2024-07-18 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1648111-5g |
2-(3-Methyl-5-nitropyridin-2-yl)acetonitrile |
123846-67-3 | 98% | 5g |
￥22500.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1648111-10g |
2-(3-Methyl-5-nitropyridin-2-yl)acetonitrile |
123846-67-3 | 98% | 10g |
￥35857.00 | 2024-08-09 |
3-methyl-5-nitro-2-Pyridineacetonitrile Related Literature
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
123846-67-3 (3-methyl-5-nitro-2-Pyridineacetonitrile) Related Products
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