N-(2-chloroethyl)-1H-pyrrole-2-carboxamide
TL;DR: N-(2-chloroethyl)-1H-pyrrole-2-carboxamide (CAS 123257-04-5) is a chemical compound with molecular formula C7H9ClN2O and molecular weight 172.04034 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-chloroethyl)-1H-pyrrole-2-carboxamide
Also Known As: N-(2-chloroethyl)-1H-pyrrole-2-carboxamide, 1H-pyrrole-2-carboxamide, N-(2-chloroethyl)-
Technical Specifications
| Molecular Formula | C7H9ClN2O |
| Molecular Weight | 172.04034 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 44.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.04034 Da |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
| SMILES | C1=CNC(=C1)C(=O)NCCCl |
| InChIKey | YNZKLPKVGUVJIM-UHFFFAOYSA-N |
Chemical Property Profile of N-(2-chloroethyl)-1H-pyrrole-2-carboxamide
Property Insights of N-(2-chloroethyl)-1H-pyrrole-2-carboxamide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-chloroethyl)-1H-pyrrole-2-carboxamide. With a topological polar surface area (TPSA) of 44.9 Ų, N-(2-chloroethyl)-1H-pyrrole-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-chloroethyl)-1H-pyrrole-2-carboxamide has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(2-chloroethyl)-1H-pyrrole-2-carboxamide?
The CAS number of N-(2-chloroethyl)-1H-pyrrole-2-carboxamide is 123257-04-5.
What is the molecular formula of N-(2-chloroethyl)-1H-pyrrole-2-carboxamide?
The molecular formula of N-(2-chloroethyl)-1H-pyrrole-2-carboxamide is C7H9ClN2O.
What is the molecular weight of N-(2-chloroethyl)-1H-pyrrole-2-carboxamide?
The molecular weight of N-(2-chloroethyl)-1H-pyrrole-2-carboxamide is 172.04034 g/mol.
Where can I buy N-(2-chloroethyl)-1H-pyrrole-2-carboxamide?
You can request a quote for N-(2-chloroethyl)-1H-pyrrole-2-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2-chloroethyl)-1H-pyrrole-2-carboxamide?
Yes, CoreyChem provides custom synthesis services for N-(2-chloroethyl)-1H-pyrrole-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.