2-Cyano-3-(3-pyridinyl)acrylic acid
TL;DR: 2-Cyano-3-(3-pyridinyl)acrylic acid (CAS 106988-34-5) is a chemical compound with molecular formula C9H6N2O2 and molecular weight 174.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-pyridin-3-ylprop-2-enoic acid
Also Known As: 2-cyano-3-(3-pyridinyl)acrylic acid, 2-Cyano-3-(pyridin-3-yl)acrylic acid, cyanopyridinylacrylicacid, 7717AC, 2-Cyano-3-(pyridin-3-yl)acrylicacid
| Molecular Formula | C9H6N2O2 |
|---|---|
| Molecular Weight | 174.04 g/mol |
| LogP | 1.07318 |
| Topological Polar Surface Area | 73.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.04292 |
| Heavy Atoms | 13 |
| Complexity | 376.35123 |
Chemical Identifiers
| CAS Number | 106988-34-5 |
|---|---|
| SMILES | C1=CC(=CN=C1)/C=C(\C#N)/C(=O)O |
Product Overview
2-Cyano-3-(3-pyridinyl)acrylic acid (CAS 106988-34-5), with molecular formula C9H6N2O2 and molecular weight 174.04 g/mol. IUPAC: (E)-2-cyano-3-pyridin-3-ylprop-2-enoic acid.
Chemical Property Profile of 2-Cyano-3-(3-pyridinyl)acrylic acid
Property Insights of 2-Cyano-3-(3-pyridinyl)acrylic acid
The XLogP value of 1.07318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-(3-pyridinyl)acrylic acid. The TPSA of 73.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-(3-pyridinyl)acrylic acid. Following Lipinski's Rule of Five, 2-Cyano-3-(3-pyridinyl)acrylic acid 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
Frequently Asked Questions
What is the CAS number of 2-Cyano-3-(3-pyridinyl)acrylic acid?
The CAS number of 2-Cyano-3-(3-pyridinyl)acrylic acid is 106988-34-5.
What is the molecular formula of 2-Cyano-3-(3-pyridinyl)acrylic acid?
The molecular formula of 2-Cyano-3-(3-pyridinyl)acrylic acid is C9H6N2O2.
What is the molecular weight of 2-Cyano-3-(3-pyridinyl)acrylic acid?
The molecular weight of 2-Cyano-3-(3-pyridinyl)acrylic acid is 174.04 g/mol.
Where can I buy 2-Cyano-3-(3-pyridinyl)acrylic acid?
You can request a quote for 2-Cyano-3-(3-pyridinyl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-3-(3-pyridinyl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-(3-pyridinyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.