Phenylaminopyridin-3-ylacetonitrile
TL;DR: Phenylaminopyridin-3-ylacetonitrile (CAS 904813-91-8) is a chemical compound with molecular formula C13H11N3 and molecular weight 209.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-anilino-2-pyridin-3-ylacetonitrile
Also Known As: Phenylaminopyridin-3-ylacetonitrile, 2-anilino-2-pyridin-3-ylacetonitrile, PHENYLAMINO-PYRIDIN-3-YL-ACETONITRILE, 2-(phenylamino)-2-(pyridin-3-yl)acetonitrile, 2-Methyl-6-phenylnicotinicacid
| Molecular Formula | C13H11N3 |
|---|---|
| Molecular Weight | 209.10 g/mol |
| LogP | 2.75838 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.09529 |
| Heavy Atoms | 16 |
| Complexity | 473.53583 |
Chemical Identifiers
| CAS Number | 904813-91-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(C#N)C2=CN=CC=C2 |
Product Overview
Phenylaminopyridin-3-ylacetonitrile (CAS 904813-91-8), with molecular formula C13H11N3 and molecular weight 209.10 g/mol. IUPAC: 2-anilino-2-pyridin-3-ylacetonitrile.
Chemical Property Profile of Phenylaminopyridin-3-ylacetonitrile
Property Insights of Phenylaminopyridin-3-ylacetonitrile
The XLogP value of 2.75838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylaminopyridin-3-ylacetonitrile. With a topological polar surface area (TPSA) of 48.71 Ų, Phenylaminopyridin-3-ylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylaminopyridin-3-ylacetonitrile 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 Phenylaminopyridin-3-ylacetonitrile?
The CAS number of Phenylaminopyridin-3-ylacetonitrile is 904813-91-8.
What is the molecular formula of Phenylaminopyridin-3-ylacetonitrile?
The molecular formula of Phenylaminopyridin-3-ylacetonitrile is C13H11N3.
What is the molecular weight of Phenylaminopyridin-3-ylacetonitrile?
The molecular weight of Phenylaminopyridin-3-ylacetonitrile is 209.10 g/mol.
Where can I buy Phenylaminopyridin-3-ylacetonitrile?
You can request a quote for Phenylaminopyridin-3-ylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylaminopyridin-3-ylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Phenylaminopyridin-3-ylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.