Phenyl(pyridin-3-yl)acetonitrile
TL;DR: Phenyl(pyridin-3-yl)acetonitrile (CAS 87534-89-2) is a chemical compound with molecular formula C13H10N2 and molecular weight 194.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-2-pyridin-3-ylacetonitrile
Also Known As: phenyl(pyridin-3-yl)acetonitrile, (3-Pyridyl)phenylacetonitrile, 3-Pyridineacetonitrile,a-phenyl-, Phenyl(3-pyridyl)acetonitrile, 2-phenyl-2-(pyridin-3-yl)acetonitrile
| Molecular Formula | C13H10N2 |
|---|---|
| Molecular Weight | 194.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.0844 |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 87534-89-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)C2=CN=CC=C2 |
| InChIKey | DRXYWEDFYCDJKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl(pyridin-3-yl)acetonitrile (CAS 87534-89-2), with molecular formula C13H10N2 and molecular weight 194.08 g/mol. IUPAC: 2-phenyl-2-pyridin-3-ylacetonitrile.
Chemical Property Profile of Phenyl(pyridin-3-yl)acetonitrile
Property Insights of Phenyl(pyridin-3-yl)acetonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl(pyridin-3-yl)acetonitrile. With a topological polar surface area (TPSA) of 36.7 Ų, Phenyl(pyridin-3-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl(pyridin-3-yl)acetonitrile has 0 hydrogen bond donor(s) and 2 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 Phenyl(pyridin-3-yl)acetonitrile?
The CAS number of Phenyl(pyridin-3-yl)acetonitrile is 87534-89-2.
What is the molecular formula of Phenyl(pyridin-3-yl)acetonitrile?
The molecular formula of Phenyl(pyridin-3-yl)acetonitrile is C13H10N2.
What is the molecular weight of Phenyl(pyridin-3-yl)acetonitrile?
The molecular weight of Phenyl(pyridin-3-yl)acetonitrile is 194.08 g/mol.
Where can I buy Phenyl(pyridin-3-yl)acetonitrile?
You can request a quote for Phenyl(pyridin-3-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl(pyridin-3-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Phenyl(pyridin-3-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.