Cas no 1256809-31-0 (5-Chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine)
5-Chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is a heterocyclic compound featuring a pyrrolopyridine core substituted with a chloro group at the 5-position and a trifluoromethyl group at the 3-position. This structure confers unique electronic and steric properties, making it a valuable intermediate in pharmaceutical and agrochemical research. The trifluoromethyl group enhances metabolic stability and lipophilicity, while the chloro substituent offers a reactive site for further functionalization. Its rigid fused-ring system is advantageous in the design of bioactive molecules, particularly in kinase inhibitors and other targeted therapies. The compound’s high purity and well-defined reactivity profile ensure consistent performance in synthetic applications.
1256809-31-0 structure
Product Name:5-Chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CAS No:1256809-31-0
MF:C8H4ClF3N2
MW:220.578970909119
CID:1088969
PubChem ID:71721070
Update Time:2025-05-28
5-Chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine Chemical and Physical Properties
Names and Identifiers
-
- 5-Chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
- DTXSID00856928
- 1256809-31-0
-
- Inchi: 1S/C8H4ClF3N2/c9-4-1-5-6(8(10,11)12)3-14-7(5)13-2-4/h1-3H,(H,13,14)
- InChI Key: FMRPWBQJBVTFLJ-UHFFFAOYSA-N
- SMILES: ClC1=CN=C2C(=C1)C(C(F)(F)F)=CN2
Computed Properties
- Exact Mass: 220.0015103g/mol
- Monoisotopic Mass: 220.0015103g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 221
- 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: 2.8
- Topological Polar Surface Area: 28.7?2
5-Chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM149690-1g |
5-chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine |
1256809-31-0 | 95% | 1g |
$1062 | 2021-06-09 | |
| Alichem | A029188922-1g |
5-Chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine |
1256809-31-0 | 95% | 1g |
$975.84 | 2023-09-03 | |
| Chemenu | CM149690-1g |
5-chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine |
1256809-31-0 | 95%+ | 1g |
$*** | 2023-04-03 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1804291-250mg |
5-Chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine |
1256809-31-0 | 98% | 250mg |
¥12784.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1804291-500mg |
5-Chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine |
1256809-31-0 | 98% | 500mg |
¥18753.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1804291-1g |
5-Chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine |
1256809-31-0 | 98% | 1g |
¥20675.00 | 2024-08-09 |
5-Chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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