5-Fluoroindole-2-carboxylic acid
TL;DR: 5-Fluoroindole-2-carboxylic acid (CAS 399-76-8) is a chemical compound with molecular formula C9H6FNO2 and molecular weight 179.03825 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-fluoro-1H-indole-2-carboxylic acid
Also Known As: 5-Fluoroindole-2-carboxylic acid, 5-Fluoro-1H-indole-2-carboxylic acid, 2-Carboxy-5-fluoroindole, Spectrum2_001469, Spectrum3_001043
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H6FNO2 |
| Molecular Weight | 179.03825 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.03825 Da |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
| SMILES | C1=CC2=C(C=C1F)C=C(N2)C(=O)O |
| InChIKey | WTXBRZCVLDTWLP-UHFFFAOYSA-N |
Product Description
Applications: 5-Fluoroindole-2-carboxylic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 5-Fluoroindole-2-carboxylic acid (CAS 399-76-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
5-Fluoroindole-2-carboxylic acid is a heterocyclic building block identified by CAS number 399-76-8 and the molecular formula C9H6FNO2 and a molecular weight of 179.04 g/mol. It is also known as 5-Fluoroindole-2-carboxylic acid and 5-Fluoro-1H-indole-2-carboxylic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 5-Fluoroindole-2-carboxylic acid
Property Insights of 5-Fluoroindole-2-carboxylic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Fluoroindole-2-carboxylic acid. With a topological polar surface area (TPSA) of 53.1 Ų, 5-Fluoroindole-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Fluoroindole-2-carboxylic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Fluoroindole-2-carboxylic acid?
The CAS number of 5-Fluoroindole-2-carboxylic acid is 399-76-8.
What is the molecular formula of 5-Fluoroindole-2-carboxylic acid?
The molecular formula of 5-Fluoroindole-2-carboxylic acid is C9H6FNO2.
What is the molecular weight of 5-Fluoroindole-2-carboxylic acid?
The molecular weight of 5-Fluoroindole-2-carboxylic acid is 179.03825 g/mol.
What are the applications of 5-Fluoroindole-2-carboxylic acid?
5-Fluoroindole-2-carboxylic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 5-Fluoroindole-2-carboxylic acid?
You can request a quote for 5-Fluoroindole-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Fluoroindole-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 5-Fluoroindole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.