Cas no 913839-52-8 (2-(6-chloro-5-methylpyridin-3-yl)acetonitrile)
2-(6-Chloro-5-methylpyridin-3-yl)acetonitrile is a versatile pyridine-based intermediate with significant utility in pharmaceutical and agrochemical synthesis. Its chloro and nitrile functional groups offer reactive sites for further derivatization, enabling the construction of complex heterocyclic frameworks. The compound’s stability and well-defined structure make it suitable for precise modifications in medicinal chemistry, particularly in the development of bioactive molecules. Its high purity and consistent performance ensure reliability in multi-step synthetic routes. Additionally, the methyl substitution enhances steric and electronic properties, facilitating selective reactions. This intermediate is valued for its efficiency in producing targeted compounds with potential applications in drug discovery and crop protection chemistry.
913839-52-8 structure
Product Name:2-(6-chloro-5-methylpyridin-3-yl)acetonitrile
CAS No:913839-52-8
MF:C8H7ClN2
MW:166.607580423355
MDL:MFCD09924115
CID:1121390
PubChem ID:55266695
Update Time:2025-10-29
2-(6-chloro-5-methylpyridin-3-yl)acetonitrile Chemical and Physical Properties
Names and Identifiers
-
- 6-chloro-5-methyl-3-Pyridineacetonitrile
- 2-(6-chloro-5-methylpyridin-3-yl)acetonitrile
- SCHEMBL3597363
- OXWXTQSNABDJET-UHFFFAOYSA-N
- 913839-52-8
- EN300-1968326
- AKOS006311874
-
- MDL： MFCD09924115
- Inchi： 1S/C8H7ClN2/c1-6-4-7(2-3-10)5-11-8(6)9/h4-5H,2H2,1H3
- InChI Key： OXWXTQSNABDJET-UHFFFAOYSA-N
- SMILES： ClC1=C(C)C=C(C=N1)CC#N
Computed Properties
- Exact Mass: 166.0297759g/mol
- Monoisotopic Mass: 166.0297759g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 172
- 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: 1.8
- Topological Polar Surface Area: 36.7?2
2-(6-chloro-5-methylpyridin-3-yl)acetonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A029009944-250mg |
2-Chloro-3-methylpyridine-5-acetonitrile |
913839-52-8 | 95% | 250mg |
$931.00 | 2023-08-31 | |
| Alichem | A029009944-1g |
2-Chloro-3-methylpyridine-5-acetonitrile |
913839-52-8 | 95% | 1g |
$2866.05 | 2023-08-31 | |
| Enamine | EN300-1968326-0.05g |
2-(6-chloro-5-methylpyridin-3-yl)acetonitrile |
913839-52-8 | 0.05g |
$647.0 | 2023-09-16 | ||
| Enamine | EN300-1968326-0.1g |
2-(6-chloro-5-methylpyridin-3-yl)acetonitrile |
913839-52-8 | 0.1g |
$678.0 | 2023-09-16 | ||
| Enamine | EN300-1968326-0.25g |
2-(6-chloro-5-methylpyridin-3-yl)acetonitrile |
913839-52-8 | 0.25g |
$708.0 | 2023-09-16 | ||
| Enamine | EN300-1968326-0.5g |
2-(6-chloro-5-methylpyridin-3-yl)acetonitrile |
913839-52-8 | 0.5g |
$739.0 | 2023-09-16 | ||
| Enamine | EN300-1968326-1.0g |
2-(6-chloro-5-methylpyridin-3-yl)acetonitrile |
913839-52-8 | 1g |
$1100.0 | 2023-05-26 | ||
| Enamine | EN300-1968326-2.5g |
2-(6-chloro-5-methylpyridin-3-yl)acetonitrile |
913839-52-8 | 2.5g |
$1509.0 | 2023-09-16 | ||
| Enamine | EN300-1968326-5.0g |
2-(6-chloro-5-methylpyridin-3-yl)acetonitrile |
913839-52-8 | 5g |
$3189.0 | 2023-05-26 | ||
| Enamine | EN300-1968326-10.0g |
2-(6-chloro-5-methylpyridin-3-yl)acetonitrile |
913839-52-8 | 10g |
$4729.0 | 2023-05-26 |
2-(6-chloro-5-methylpyridin-3-yl)acetonitrile Related Literature
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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