![Propanedinitrile, 2-(1H-pyrrolo[2,3-B]pyridin-3-ylmethylene)- structure](/static/products/1575/157561-99-4.webp)
Propanedinitrile, 2-(1H-pyrrolo[2,3-B]pyridin-3-ylmethylene)-
TL;DR: Propanedinitrile, 2-(1H-pyrrolo[2,3-B]pyridin-3-ylmethylene)- (CAS 157561-99-4) is a chemical compound with molecular formula C11H6N4 and molecular weight 194.05925 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)propanedinitrile
Also Known As: PROPANEDINITRILE, 2-(1H-PYRROLO[2,3-B]PYRIDIN-3-YLMETHYLENE)-, (1H-Pyrrolo[2,3-b]pyridin-3-ylmethylen)malononitril, 2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)propanedinitrile, 2-(7H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)propanedinitrile, 2-cyano-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)acrylamide
Technical Specifications
| Molecular Formula | C11H6N4 |
| Molecular Weight | 194.05925 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 76.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.05925 Da |
| Heavy Atoms | 15 |
| Complexity | 349.0 |
| SMILES | C1=CC2=C(NC=C2C=C(C#N)C#N)N=C1 |
| InChIKey | AICASHFWBSAACD-UHFFFAOYSA-N |
Chemical Property Profile of Propanedinitrile, 2-(1H-pyrrolo[2,3-B]pyridin-3-ylmethylene)-
Property Insights of Propanedinitrile, 2-(1H-pyrrolo[2,3-B]pyridin-3-ylmethylene)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, 2-(1H-pyrrolo[2,3-B]pyridin-3-ylmethylene)-. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedinitrile, 2-(1H-pyrrolo[2,3-B]pyridin-3-ylmethylene)-. Following Lipinski's Rule of Five, Propanedinitrile, 2-(1H-pyrrolo[2,3-B]pyridin-3-ylmethylene)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Propanedinitrile, 2-(1H-pyrrolo[2,3-B]pyridin-3-ylmethylene)-?
The CAS number of Propanedinitrile, 2-(1H-pyrrolo[2,3-B]pyridin-3-ylmethylene)- is 157561-99-4.
What is the molecular formula of Propanedinitrile, 2-(1H-pyrrolo[2,3-B]pyridin-3-ylmethylene)-?
The molecular formula of Propanedinitrile, 2-(1H-pyrrolo[2,3-B]pyridin-3-ylmethylene)- is C11H6N4.
What is the molecular weight of Propanedinitrile, 2-(1H-pyrrolo[2,3-B]pyridin-3-ylmethylene)-?
The molecular weight of Propanedinitrile, 2-(1H-pyrrolo[2,3-B]pyridin-3-ylmethylene)- is 194.05925 g/mol.
Where can I buy Propanedinitrile, 2-(1H-pyrrolo[2,3-B]pyridin-3-ylmethylene)-?
You can request a quote for Propanedinitrile, 2-(1H-pyrrolo[2,3-B]pyridin-3-ylmethylene)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propanedinitrile, 2-(1H-pyrrolo[2,3-B]pyridin-3-ylmethylene)-?
Yes, CoreyChem provides custom synthesis services for Propanedinitrile, 2-(1H-pyrrolo[2,3-B]pyridin-3-ylmethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.