Pyrrole-2-carboxaldehyde
TL;DR: Pyrrole-2-carboxaldehyde (CAS 1003-29-8) is a chemical compound with molecular formula C5H5NO and molecular weight 95.03712 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1H-pyrrole-2-carbaldehyde
Also Known As: 1H-Pyrrole-2-carbaldehyde, PYRROLE-2-CARBOXALDEHYDE, 2-Formylpyrrole, 1H-Pyrrole-2-carboxaldehyde, Pyrrole-2-aldehyde
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H5NO |
| Molecular Weight | 95.03712 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 95.03712 Da |
| Heavy Atoms | 7 |
| Complexity | 72.0 |
| Melting Point | 50 - 51 °C |
| Boiling Point | 216.00 to 218.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.32 [mmHg] |
| SMILES | C1=CNC(=C1)C=O |
| InChIKey | ZSKGQVFRTSEPJT-UHFFFAOYSA-N |
Chemical Property Profile of Pyrrole-2-carboxaldehyde
Property Insights of Pyrrole-2-carboxaldehyde
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrole-2-carboxaldehyde. With a topological polar surface area (TPSA) of 32.9 Ų, Pyrrole-2-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrole-2-carboxaldehyde has 1 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 Pyrrole-2-carboxaldehyde?
The CAS number of Pyrrole-2-carboxaldehyde is 1003-29-8.
What is the molecular formula of Pyrrole-2-carboxaldehyde?
The molecular formula of Pyrrole-2-carboxaldehyde is C5H5NO.
What is the molecular weight of Pyrrole-2-carboxaldehyde?
The molecular weight of Pyrrole-2-carboxaldehyde is 95.03712 g/mol.
Where can I buy Pyrrole-2-carboxaldehyde?
You can request a quote for Pyrrole-2-carboxaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrrole-2-carboxaldehyde?
Yes, CoreyChem provides custom synthesis services for Pyrrole-2-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.