4-Chloro-1-hydroxypyrrole-2-carbonitrile
TL;DR: 4-Chloro-1-hydroxypyrrole-2-carbonitrile (CAS 57097-43-5) is a chemical compound with molecular formula C5H3ClN2O and molecular weight 141.9934 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-1-hydroxypyrrole-2-carbonitrile
Also Known As: 4-chloro-1-hydroxypyrrole-2-carbonitrile, 1H-Pyrrole-2-carbonitrile, 4-chloro-1-hydroxy-, 4-Chloro-1-hydroxy-1H-pyrrole-2-carbonitrile
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H3ClN2O |
| Molecular Weight | 141.9934 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 49.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 141.9934 Da |
| Heavy Atoms | 9 |
| Complexity | 152.0 |
| SMILES | C1=C(N(C=C1Cl)O)C#N |
| InChIKey | MBNUQFBBRTWXTJ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-1-hydroxypyrrole-2-carbonitrile
Property Insights of 4-Chloro-1-hydroxypyrrole-2-carbonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1-hydroxypyrrole-2-carbonitrile. With a topological polar surface area (TPSA) of 49.0 Ų, 4-Chloro-1-hydroxypyrrole-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1-hydroxypyrrole-2-carbonitrile 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 4-Chloro-1-hydroxypyrrole-2-carbonitrile?
The CAS number of 4-Chloro-1-hydroxypyrrole-2-carbonitrile is 57097-43-5.
What is the molecular formula of 4-Chloro-1-hydroxypyrrole-2-carbonitrile?
The molecular formula of 4-Chloro-1-hydroxypyrrole-2-carbonitrile is C5H3ClN2O.
What is the molecular weight of 4-Chloro-1-hydroxypyrrole-2-carbonitrile?
The molecular weight of 4-Chloro-1-hydroxypyrrole-2-carbonitrile is 141.9934 g/mol.
Where can I buy 4-Chloro-1-hydroxypyrrole-2-carbonitrile?
You can request a quote for 4-Chloro-1-hydroxypyrrole-2-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-1-hydroxypyrrole-2-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-1-hydroxypyrrole-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.