Cas no 1806976-42-0 (5-(Difluoromethyl)-2-fluoro-3-methylpyridine-4-carboxylic acid)
5-(Difluoromethyl)-2-fluoro-3-methylpyridine-4-carboxylic acid is a fluorinated pyridine derivative with a difluoromethyl substituent at the 5-position, a fluorine atom at the 2-position, and a methyl group at the 3-position. This compound is of interest in pharmaceutical and agrochemical research due to its unique structural features, which enhance metabolic stability and bioavailability. The presence of multiple fluorine atoms contributes to increased lipophilicity and improved binding affinity in target interactions. Its carboxylic acid functionality allows for further derivatization, making it a versatile intermediate in synthetic chemistry. The compound’s well-defined structure and high purity make it suitable for applications in drug discovery and material science.
1806976-42-0 structure
Product Name:5-(Difluoromethyl)-2-fluoro-3-methylpyridine-4-carboxylic acid
CAS No:1806976-42-0
MF:C8H6F3NO2
MW:205.133952617645
CID:4884332
Update Time:2025-06-07
5-(Difluoromethyl)-2-fluoro-3-methylpyridine-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 5-(Difluoromethyl)-2-fluoro-3-methylpyridine-4-carboxylic acid
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- Inchi: 1S/C8H6F3NO2/c1-3-5(8(13)14)4(6(9)10)2-12-7(3)11/h2,6H,1H3,(H,13,14)
- InChI Key: AAVVKQVUQXKSMU-UHFFFAOYSA-N
- SMILES: FC(C1C=NC(=C(C)C=1C(=O)O)F)F
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 225
- XLogP3: 1.8
- Topological Polar Surface Area: 50.2
5-(Difluoromethyl)-2-fluoro-3-methylpyridine-4-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A029033369-250mg |
5-(Difluoromethyl)-2-fluoro-3-methylpyridine-4-carboxylic acid |
1806976-42-0 | 95% | 250mg |
$1,068.20 | 2022-03-31 | |
| Alichem | A029033369-500mg |
5-(Difluoromethyl)-2-fluoro-3-methylpyridine-4-carboxylic acid |
1806976-42-0 | 95% | 500mg |
$1,685.00 | 2022-03-31 | |
| Alichem | A029033369-1g |
5-(Difluoromethyl)-2-fluoro-3-methylpyridine-4-carboxylic acid |
1806976-42-0 | 95% | 1g |
$3,126.60 | 2022-03-31 |
5-(Difluoromethyl)-2-fluoro-3-methylpyridine-4-carboxylic acid Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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