Pyrrolnitrin
TL;DR: Pyrrolnitrin (CAS 1018-71-9) is a chemical compound with molecular formula C10H6Cl2N2O2 and molecular weight 255.98064 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole
Also Known As: Pyrrolnitrin, Pyrrolnitrine, Pyroace, Pirrolnitrina, Pyrrolnitrinum
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H6Cl2N2O2 |
| Molecular Weight | 255.98064 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.98064 Da |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
| SMILES | C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC=C2Cl |
| InChIKey | QJBZDBLBQWFTPZ-UHFFFAOYSA-N |
Chemical Property Profile of Pyrrolnitrin
Property Insights of Pyrrolnitrin
The XLogP value of 4.4 indicates that Pyrrolnitrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrolnitrin. Following Lipinski's Rule of Five, Pyrrolnitrin has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pyrrolnitrin?
The CAS number of Pyrrolnitrin is 1018-71-9.
What is the molecular formula of Pyrrolnitrin?
The molecular formula of Pyrrolnitrin is C10H6Cl2N2O2.
What is the molecular weight of Pyrrolnitrin?
The molecular weight of Pyrrolnitrin is 255.98064 g/mol.
Where can I buy Pyrrolnitrin?
You can request a quote for Pyrrolnitrin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrrolnitrin?
Yes, CoreyChem provides custom synthesis services for Pyrrolnitrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.