2-(3-formyl-1H-pyrrol-1-yl)benzenecarbonitrile
TL;DR: 2-(3-formyl-1H-pyrrol-1-yl)benzenecarbonitrile (CAS 156496-63-8) is a chemical compound with molecular formula C12H8N2O and molecular weight 196.06366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-formylpyrrol-1-yl)benzonitrile
Also Known As: 2-(3-formylpyrrol-1-yl)benzonitrile, 2-(3-formyl-1H-pyrrol-1-yl)benzenecarbonitrile, 2-(3-formyl-1H-pyrrol-1-yl)benzonitrile, 1-(2-Cyanophenyl)-1H-pyrrole-3-carbaldehyde, Benzonitrile, 2-(3-formyl-1H-pyrrol-1-yl)-
Technical Specifications
| Molecular Formula | C12H8N2O |
| Molecular Weight | 196.06366 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.06366 Da |
| Heavy Atoms | 15 |
| Complexity | 281.0 |
| SMILES | C1=CC=C(C(=C1)C#N)N2C=CC(=C2)C=O |
| InChIKey | VVYPZQZULJEHJU-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-formyl-1H-pyrrol-1-yl)benzenecarbonitrile
Property Insights of 2-(3-formyl-1H-pyrrol-1-yl)benzenecarbonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-formyl-1H-pyrrol-1-yl)benzenecarbonitrile. With a topological polar surface area (TPSA) of 45.8 Ų, 2-(3-formyl-1H-pyrrol-1-yl)benzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-formyl-1H-pyrrol-1-yl)benzenecarbonitrile has 0 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 2-(3-formyl-1H-pyrrol-1-yl)benzenecarbonitrile?
The CAS number of 2-(3-formyl-1H-pyrrol-1-yl)benzenecarbonitrile is 156496-63-8.
What is the molecular formula of 2-(3-formyl-1H-pyrrol-1-yl)benzenecarbonitrile?
The molecular formula of 2-(3-formyl-1H-pyrrol-1-yl)benzenecarbonitrile is C12H8N2O.
What is the molecular weight of 2-(3-formyl-1H-pyrrol-1-yl)benzenecarbonitrile?
The molecular weight of 2-(3-formyl-1H-pyrrol-1-yl)benzenecarbonitrile is 196.06366 g/mol.
Where can I buy 2-(3-formyl-1H-pyrrol-1-yl)benzenecarbonitrile?
You can request a quote for 2-(3-formyl-1H-pyrrol-1-yl)benzenecarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-formyl-1H-pyrrol-1-yl)benzenecarbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(3-formyl-1H-pyrrol-1-yl)benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.