2-Anilino-2-pyridin-3-ylpropanenitrile
TL;DR: 2-Anilino-2-pyridin-3-ylpropanenitrile (CAS 100331-49-5) is a chemical compound with molecular formula C14H13N3 and molecular weight 223.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-anilino-2-pyridin-3-ylpropanenitrile
Also Known As: Maybridge3_003170, 2-anilino-2-pyridin-3-ylpropanenitrile, 2-(3-Pyridinyl)-2-anilinopropanenitrile, IDI1_014557, 2-(phenylamino)-2-(pyridin-3-yl)propanenitrile
| Molecular Formula | C14H13N3 |
|---|---|
| Molecular Weight | 223.11 g/mol |
| LogP | 2.93248 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.11095 |
| Heavy Atoms | 17 |
| Complexity | 516.1685 |
Chemical Identifiers
| CAS Number | 100331-49-5 |
|---|---|
| SMILES | CC(C#N)(C1=CN=CC=C1)NC2=CC=CC=C2 |
Product Overview
2-Anilino-2-pyridin-3-ylpropanenitrile (CAS 100331-49-5), with molecular formula C14H13N3 and molecular weight 223.11 g/mol. IUPAC: 2-anilino-2-pyridin-3-ylpropanenitrile.
Chemical Property Profile of 2-Anilino-2-pyridin-3-ylpropanenitrile
Property Insights of 2-Anilino-2-pyridin-3-ylpropanenitrile
The XLogP value of 2.93248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Anilino-2-pyridin-3-ylpropanenitrile. With a topological polar surface area (TPSA) of 48.71 Ų, 2-Anilino-2-pyridin-3-ylpropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Anilino-2-pyridin-3-ylpropanenitrile 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-Anilino-2-pyridin-3-ylpropanenitrile?
The CAS number of 2-Anilino-2-pyridin-3-ylpropanenitrile is 100331-49-5.
What is the molecular formula of 2-Anilino-2-pyridin-3-ylpropanenitrile?
The molecular formula of 2-Anilino-2-pyridin-3-ylpropanenitrile is C14H13N3.
What is the molecular weight of 2-Anilino-2-pyridin-3-ylpropanenitrile?
The molecular weight of 2-Anilino-2-pyridin-3-ylpropanenitrile is 223.11 g/mol.
Where can I buy 2-Anilino-2-pyridin-3-ylpropanenitrile?
You can request a quote for 2-Anilino-2-pyridin-3-ylpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Anilino-2-pyridin-3-ylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Anilino-2-pyridin-3-ylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.