1H-Pyrrole-3-carbonitrile, 4-bromo-5-(trifluoromethyl)-2-(4-(trifluoromethyl)phenyl)-
TL;DR: 1H-Pyrrole-3-carbonitrile, 4-bromo-5-(trifluoromethyl)-2-(4-(trifluoromethyl)phenyl)- (CAS 122454-33-5) is a chemical compound with molecular formula C13H5BrF6N2 and molecular weight 381.95404 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbonitrile
Also Known As: 1H-Pyrrole-3-carbonitrile, 4-bromo-5-(trifluoromethyl)-2-(4-(trifluoromethyl)phenyl)-, 4-bromo-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbonitrile, 4-Bromo-5-(trifluoromethyl)-2-(4-(trifluoromethyl)phenyl)-1H-pyrrole-3-carbonitrile
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H5BrF6N2 |
| Molecular Weight | 381.95404 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 381.95404 Da |
| Heavy Atoms | 22 |
| Complexity | 446.0 |
| SMILES | C1=CC(=CC=C1C2=C(C(=C(N2)C(F)(F)F)Br)C#N)C(F)(F)F |
| InChIKey | DTLIQEQNNIFSAU-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Pyrrole-3-carbonitrile, 4-bromo-5-(trifluoromethyl)-2-(4-(trifluoromethyl)phenyl)-
Property Insights of 1H-Pyrrole-3-carbonitrile, 4-bromo-5-(trifluoromethyl)-2-(4-(trifluoromethyl)phenyl)-
The XLogP value of 4.6 indicates that 1H-Pyrrole-3-carbonitrile, 4-bromo-5-(trifluoromethyl)-2-(4-(trifluoromethyl)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.6 Ų, 1H-Pyrrole-3-carbonitrile, 4-bromo-5-(trifluoromethyl)-2-(4-(trifluoromethyl)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-3-carbonitrile, 4-bromo-5-(trifluoromethyl)-2-(4-(trifluoromethyl)phenyl)- has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-Pyrrole-3-carbonitrile, 4-bromo-5-(trifluoromethyl)-2-(4-(trifluoromethyl)phenyl)-?
The CAS number of 1H-Pyrrole-3-carbonitrile, 4-bromo-5-(trifluoromethyl)-2-(4-(trifluoromethyl)phenyl)- is 122454-33-5.
What is the molecular formula of 1H-Pyrrole-3-carbonitrile, 4-bromo-5-(trifluoromethyl)-2-(4-(trifluoromethyl)phenyl)-?
The molecular formula of 1H-Pyrrole-3-carbonitrile, 4-bromo-5-(trifluoromethyl)-2-(4-(trifluoromethyl)phenyl)- is C13H5BrF6N2.
What is the molecular weight of 1H-Pyrrole-3-carbonitrile, 4-bromo-5-(trifluoromethyl)-2-(4-(trifluoromethyl)phenyl)-?
The molecular weight of 1H-Pyrrole-3-carbonitrile, 4-bromo-5-(trifluoromethyl)-2-(4-(trifluoromethyl)phenyl)- is 381.95404 g/mol.
Where can I buy 1H-Pyrrole-3-carbonitrile, 4-bromo-5-(trifluoromethyl)-2-(4-(trifluoromethyl)phenyl)-?
You can request a quote for 1H-Pyrrole-3-carbonitrile, 4-bromo-5-(trifluoromethyl)-2-(4-(trifluoromethyl)phenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Pyrrole-3-carbonitrile, 4-bromo-5-(trifluoromethyl)-2-(4-(trifluoromethyl)phenyl)-?
Yes, CoreyChem provides custom synthesis services for 1H-Pyrrole-3-carbonitrile, 4-bromo-5-(trifluoromethyl)-2-(4-(trifluoromethyl)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.