Phenylamino-pyridin-2-yl-acetonitrile
TL;DR: Phenylamino-pyridin-2-yl-acetonitrile (CAS 904813-98-5) 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-2-ylacetonitrile
Also Known As: Phenylamino-pyridin-2-yl-acetonitrile, 2-anilino-2-pyridin-2-ylacetonitrile, 2-(phenylamino)-2-(pyridin-2-yl)acetonitrile, Phenylaminopyridin-2-ylacetonitrile, Anilino(pyridin-2-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 | 904813-98-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(C#N)C2=CC=CC=N2 |
Product Overview
Phenylamino-pyridin-2-yl-acetonitrile (CAS 904813-98-5), with molecular formula C13H11N3 and molecular weight 209.10 g/mol. IUPAC: 2-anilino-2-pyridin-2-ylacetonitrile.
Chemical Property Profile of Phenylamino-pyridin-2-yl-acetonitrile
Property Insights of Phenylamino-pyridin-2-yl-acetonitrile
The XLogP value of 2.75838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylamino-pyridin-2-yl-acetonitrile. With a topological polar surface area (TPSA) of 48.71 Ų, Phenylamino-pyridin-2-yl-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylamino-pyridin-2-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 Phenylamino-pyridin-2-yl-acetonitrile?
The CAS number of Phenylamino-pyridin-2-yl-acetonitrile is 904813-98-5.
What is the molecular formula of Phenylamino-pyridin-2-yl-acetonitrile?
The molecular formula of Phenylamino-pyridin-2-yl-acetonitrile is C13H11N3.
What is the molecular weight of Phenylamino-pyridin-2-yl-acetonitrile?
The molecular weight of Phenylamino-pyridin-2-yl-acetonitrile is 209.10 g/mol.
Where can I buy Phenylamino-pyridin-2-yl-acetonitrile?
You can request a quote for Phenylamino-pyridin-2-yl-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylamino-pyridin-2-yl-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Phenylamino-pyridin-2-yl-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.