Cas no 1227572-05-5 (3-Bromo-2-fluoropyridine-6-acetonitrile)
3-Bromo-2-fluoropyridine-6-acetonitrile is a versatile heterocyclic compound featuring a bromo and fluoro substituent on a pyridine ring, coupled with an acetonitrile functional group at the 6-position. This structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for constructing complex molecules through cross-coupling reactions, nucleophilic substitutions, or cyano-group transformations. The presence of both bromine and fluorine enhances its reactivity, enabling selective modifications for targeted applications. Its stability and well-defined reactivity profile facilitate its use in medicinal chemistry for developing bioactive compounds. The compound is typically handled under controlled conditions due to its sensitivity to moisture and light.
1227572-05-5 structure
Product Name:3-Bromo-2-fluoropyridine-6-acetonitrile
CAS No:1227572-05-5
MF:C7H4BrFN2
MW:215.022463798523
CID:4913887
Update Time:2025-05-28
3-Bromo-2-fluoropyridine-6-acetonitrile Chemical and Physical Properties
Names and Identifiers
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- 3-Bromo-2-fluoropyridine-6-acetonitrile
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- Inchi: 1S/C7H4BrFN2/c8-6-2-1-5(3-4-10)11-7(6)9/h1-2H,3H2
- InChI Key: LMDLCCUGSLHIKL-UHFFFAOYSA-N
- SMILES: BrC1=C(N=C(CC#N)C=C1)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 177
- XLogP3: 1.7
- Topological Polar Surface Area: 36.7
3-Bromo-2-fluoropyridine-6-acetonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A026000199-250mg |
3-Bromo-2-fluoropyridine-6-acetonitrile |
1227572-05-5 | 97% | 250mg |
$686.80 | 2023-09-03 | |
| Alichem | A026000199-500mg |
3-Bromo-2-fluoropyridine-6-acetonitrile |
1227572-05-5 | 97% | 500mg |
$1078.00 | 2023-09-03 | |
| Alichem | A026000199-1g |
3-Bromo-2-fluoropyridine-6-acetonitrile |
1227572-05-5 | 97% | 1g |
$1814.40 | 2023-09-03 |
3-Bromo-2-fluoropyridine-6-acetonitrile Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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