Cas no 1227599-49-6 (2-(5-Fluoropyrimidin-2-yl)acetonitrile)
2-(5-Fluoropyrimidin-2-yl)acetonitrile is a fluorinated pyrimidine derivative with significant utility in pharmaceutical and agrochemical research. Its key structural features include a nitrile group and a fluoropyrimidine moiety, which enhance its reactivity and versatility as a synthetic intermediate. The fluorine substitution at the 5-position improves metabolic stability and binding affinity in target molecules, making it valuable for the development of bioactive compounds. This compound is particularly useful in nucleoside chemistry and heterocyclic synthesis, where its electron-withdrawing properties facilitate selective functionalization. High purity and consistent quality ensure reliable performance in complex organic transformations. Proper handling under controlled conditions is recommended due to its reactive nitrile group.
1227599-49-6 structure
Product Name:2-(5-Fluoropyrimidin-2-yl)acetonitrile
CAS No:1227599-49-6
MF:C6H4FN3
MW:137.114463806152
MDL:MFCD16611295
CID:4579233
PubChem ID:112692747
Update Time:2025-10-29
2-(5-Fluoropyrimidin-2-yl)acetonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-(5-Fluoropyrimidin-2-yl)acetonitrile
- AKOS026732177
- EN300-256423
- G14869
- 1227599-49-6
-
- MDL: MFCD16611295
- Inchi: 1S/C6H4FN3/c7-5-3-9-6(1-2-8)10-4-5/h3-4H,1H2
- InChI Key: VYPOSBDIBQYDLM-UHFFFAOYSA-N
- SMILES: FC1C=NC(CC#N)=NC=1
Computed Properties
- Exact Mass: 137.03892530g/mol
- Monoisotopic Mass: 137.03892530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 142
- 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
- Topological Polar Surface Area: 49.6
2-(5-Fluoropyrimidin-2-yl)acetonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B435685-10mg |
2-(5-Fluoropyrimidin-2-yl)acetonitrile |
1227599-49-6 | 10mg |
$ 70.00 | 2022-06-07 | ||
| TRC | B435685-50mg |
2-(5-Fluoropyrimidin-2-yl)acetonitrile |
1227599-49-6 | 50mg |
$ 250.00 | 2022-06-07 | ||
| TRC | B435685-100mg |
2-(5-Fluoropyrimidin-2-yl)acetonitrile |
1227599-49-6 | 100mg |
$ 365.00 | 2022-06-07 | ||
| Chemenu | CM421288-250mg |
2-(5-fluoropyrimidin-2-yl)acetonitrile |
1227599-49-6 | 95%+ | 250mg |
$576 | 2023-02-03 | |
| Chemenu | CM421288-500mg |
2-(5-fluoropyrimidin-2-yl)acetonitrile |
1227599-49-6 | 95%+ | 500mg |
$892 | 2023-02-03 | |
| Chemenu | CM421288-1g |
2-(5-fluoropyrimidin-2-yl)acetonitrile |
1227599-49-6 | 95%+ | 1g |
$1137 | 2023-02-03 | |
| Enamine | EN300-256423-0.05g |
2-(5-fluoropyrimidin-2-yl)acetonitrile |
1227599-49-6 | 95% | 0.05g |
$245.0 | 2024-06-19 | |
| Enamine | EN300-256423-0.1g |
2-(5-fluoropyrimidin-2-yl)acetonitrile |
1227599-49-6 | 95% | 0.1g |
$366.0 | 2024-06-19 | |
| Enamine | EN300-256423-0.25g |
2-(5-fluoropyrimidin-2-yl)acetonitrile |
1227599-49-6 | 95% | 0.25g |
$524.0 | 2024-06-19 | |
| Enamine | EN300-256423-0.5g |
2-(5-fluoropyrimidin-2-yl)acetonitrile |
1227599-49-6 | 95% | 0.5g |
$824.0 | 2024-06-19 |
2-(5-Fluoropyrimidin-2-yl)acetonitrile Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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