Cas no 1454913-72-4 (Methyl 4-chloro-5-fluoronicotinate)
Methyl 4-chloro-5-fluoronicotinate is a fluorinated nicotinate derivative with significant utility in pharmaceutical and agrochemical synthesis. Its key structural features—a chloro-fluoro substitution pattern on the pyridine ring—enhance reactivity and selectivity in cross-coupling reactions, making it a valuable intermediate for constructing complex heterocyclic compounds. The ester group at the 3-position offers versatility for further functionalization, such as hydrolysis or amidation. This compound exhibits high purity and stability under standard storage conditions, ensuring reliable performance in synthetic applications. Its well-defined chemical properties make it particularly useful in medicinal chemistry for developing bioactive molecules, including kinase inhibitors and antimicrobial agents.
1454913-72-4 structure
Product Name:Methyl 4-chloro-5-fluoronicotinate
CAS No:1454913-72-4
MF:C7H5ClFNO2
MW:189.571504354477
CID:4802954
Update Time:2025-05-28
Methyl 4-chloro-5-fluoronicotinate Chemical and Physical Properties
Names and Identifiers
-
- methyl 4-chloro-5-fluoronicotinate
- Methyl 4-chloro-5-fluoropyridine-3-carboxylate
- Methyl 4-chloro-5-fluoronicotinate
-
- Inchi: 1S/C7H5ClFNO2/c1-12-7(11)4-2-10-3-5(9)6(4)8/h2-3H,1H3
- InChI Key: YABUXSHSEYDQJQ-UHFFFAOYSA-N
- SMILES: ClC1C(=CN=CC=1C(=O)OC)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 179
- XLogP3: 1.4
- Topological Polar Surface Area: 39.2
Methyl 4-chloro-5-fluoronicotinate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A029010771-250mg |
Methyl 4-chloro-5-fluoronicotinate |
1454913-72-4 | 95% | 250mg |
$1,038.80 | 2022-04-02 | |
| Alichem | A029010771-1g |
Methyl 4-chloro-5-fluoronicotinate |
1454913-72-4 | 95% | 1g |
$2,952.90 | 2022-04-02 | |
| Aaron | AR021QQS-250mg |
Methyl 4-chloro-5-fluoropyridine-3-carboxylate |
1454913-72-4 | 250mg |
$659.00 | 2023-12-16 | ||
| Aaron | AR021QQS-500mg |
Methyl 4-chloro-5-fluoropyridine-3-carboxylate |
1454913-72-4 | 95% | 500mg |
$522.00 | 2025-02-13 | |
| Aaron | AR021QQS-1g |
Methyl 4-chloro-5-fluoropyridine-3-carboxylate |
1454913-72-4 | 95% | 1g |
$695.00 | 2025-02-13 |
Methyl 4-chloro-5-fluoronicotinate Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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