3-(2-chlorophenyl)-4-nitro-1H-pyrrole
TL;DR: 3-(2-chlorophenyl)-4-nitro-1H-pyrrole (CAS 87388-45-2) is a chemical compound with molecular formula C10H7ClN2O2 and molecular weight 222.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-4-nitro-1H-pyrrole
Also Known As: Pyrrolnitrin der., 3-(2-chlorophenyl)-4-nitro-1H-pyrrole, 3-(2-Chlorophenyl)-4-nitropyrrole, 1H-Pyrrole, 3-(2-chlorophenyl)-4-nitro-, RefChem:273643
| Molecular Formula | C10H7ClN2O2 |
|---|---|
| Molecular Weight | 222.02 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.0196 |
| Heavy Atoms | 15 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 87388-45-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=CNC=C2[N+](=O)[O-])Cl |
| InChIKey | WWRJQRZVKPRYFF-UHFFFAOYSA-N |
Product Overview
3-(2-chlorophenyl)-4-nitro-1H-pyrrole (CAS 87388-45-2), with molecular formula C10H7ClN2O2 and molecular weight 222.02 g/mol. IUPAC: 3-(2-chlorophenyl)-4-nitro-1H-pyrrole.
Chemical Property Profile of 3-(2-chlorophenyl)-4-nitro-1H-pyrrole
Property Insights of 3-(2-chlorophenyl)-4-nitro-1H-pyrrole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-chlorophenyl)-4-nitro-1H-pyrrole. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-chlorophenyl)-4-nitro-1H-pyrrole. Following Lipinski's Rule of Five, 3-(2-chlorophenyl)-4-nitro-1H-pyrrole 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
Frequently Asked Questions
What is the CAS number of 3-(2-chlorophenyl)-4-nitro-1H-pyrrole?
The CAS number of 3-(2-chlorophenyl)-4-nitro-1H-pyrrole is 87388-45-2.
What is the molecular formula of 3-(2-chlorophenyl)-4-nitro-1H-pyrrole?
The molecular formula of 3-(2-chlorophenyl)-4-nitro-1H-pyrrole is C10H7ClN2O2.
What is the molecular weight of 3-(2-chlorophenyl)-4-nitro-1H-pyrrole?
The molecular weight of 3-(2-chlorophenyl)-4-nitro-1H-pyrrole is 222.02 g/mol.
Where can I buy 3-(2-chlorophenyl)-4-nitro-1H-pyrrole?
You can request a quote for 3-(2-chlorophenyl)-4-nitro-1H-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-chlorophenyl)-4-nitro-1H-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chlorophenyl)-4-nitro-1H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.