methyl 2-chloro-1H-pyrrole-3-carboxylate
TL;DR: methyl 2-chloro-1H-pyrrole-3-carboxylate (CAS 126480-98-6) is a chemical compound with molecular formula C6H6ClNO2 and molecular weight 159.00871 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-chloro-1H-pyrrole-3-carboxylate
Also Known As: methyl 2-chloro-1H-pyrrole-3-carboxylate, 1-pyridin-2-ylethanone, Ethanone, 1-(2-pyridinyl)-, methyl2-chloro-1H-pyrrole-3-carboxylate, 1H-Pyrrole-3-carboxylic acid, 2-chloro-, methyl ester
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H6ClNO2 |
| Molecular Weight | 159.00871 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.00871 Da |
| Heavy Atoms | 10 |
| Complexity | 140.0 |
| SMILES | COC(=O)C1=C(NC=C1)Cl |
| InChIKey | JJYROUBBPPVBNV-UHFFFAOYSA-N |
Chemical Property Profile of methyl 2-chloro-1H-pyrrole-3-carboxylate
Property Insights of methyl 2-chloro-1H-pyrrole-3-carboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-chloro-1H-pyrrole-3-carboxylate. With a topological polar surface area (TPSA) of 42.1 Ų, methyl 2-chloro-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-chloro-1H-pyrrole-3-carboxylate 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 methyl 2-chloro-1H-pyrrole-3-carboxylate?
The CAS number of methyl 2-chloro-1H-pyrrole-3-carboxylate is 126480-98-6.
What is the molecular formula of methyl 2-chloro-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 2-chloro-1H-pyrrole-3-carboxylate is C6H6ClNO2.
What is the molecular weight of methyl 2-chloro-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 2-chloro-1H-pyrrole-3-carboxylate is 159.00871 g/mol.
Where can I buy methyl 2-chloro-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 2-chloro-1H-pyrrole-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 2-chloro-1H-pyrrole-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 2-chloro-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.