2-(Phenylamino)-2-(pyridin-4-yl)acetonitrile
TL;DR: 2-(Phenylamino)-2-(pyridin-4-yl)acetonitrile (CAS 97383-66-9) 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-4-ylacetonitrile
Also Known As: 2-(phenylamino)-2-(pyridin-4-yl)acetonitrile, 2-anilino-2-pyridin-4-ylacetonitrile, Phenylaminopyridin-4-ylacetonitrile, PHENYLAMINO-PYRIDIN-4-YL-ACETONITRILE, Anilino(pyridin-4-yl)acetonitrile
| 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 | 97383-66-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(C#N)C2=CC=NC=C2 |
Product Overview
2-(Phenylamino)-2-(pyridin-4-yl)acetonitrile (CAS 97383-66-9), with molecular formula C13H11N3 and molecular weight 209.10 g/mol. IUPAC: 2-anilino-2-pyridin-4-ylacetonitrile.
Chemical Property Profile of 2-(Phenylamino)-2-(pyridin-4-yl)acetonitrile
Property Insights of 2-(Phenylamino)-2-(pyridin-4-yl)acetonitrile
The XLogP value of 2.75838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Phenylamino)-2-(pyridin-4-yl)acetonitrile. With a topological polar surface area (TPSA) of 48.71 Ų, 2-(Phenylamino)-2-(pyridin-4-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Phenylamino)-2-(pyridin-4-yl)acetonitrile 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-(Phenylamino)-2-(pyridin-4-yl)acetonitrile?
The CAS number of 2-(Phenylamino)-2-(pyridin-4-yl)acetonitrile is 97383-66-9.
What is the molecular formula of 2-(Phenylamino)-2-(pyridin-4-yl)acetonitrile?
The molecular formula of 2-(Phenylamino)-2-(pyridin-4-yl)acetonitrile is C13H11N3.
What is the molecular weight of 2-(Phenylamino)-2-(pyridin-4-yl)acetonitrile?
The molecular weight of 2-(Phenylamino)-2-(pyridin-4-yl)acetonitrile is 209.10 g/mol.
Where can I buy 2-(Phenylamino)-2-(pyridin-4-yl)acetonitrile?
You can request a quote for 2-(Phenylamino)-2-(pyridin-4-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Phenylamino)-2-(pyridin-4-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylamino)-2-(pyridin-4-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.