2-(5-(Chloromethyl)pyridin-2-yl)benzonitrile
TL;DR: 2-(5-(Chloromethyl)pyridin-2-yl)benzonitrile (CAS 145733-57-9) is a chemical compound with molecular formula C13H9ClN2 and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(chloromethyl)-2-pyridinyl]benzonitrile
Also Known As: 2-(5-(Chloromethyl)pyridin-2-yl)benzonitrile, 2-[5-(chloromethyl)pyridin-2-yl]benzonitrile, 2-[5-(Chloromethyl)-2-pyridinyl]benzonitrile
| Molecular Formula | C13H9ClN2 |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 3.35908 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.04543 |
| Heavy Atoms | 16 |
| Complexity | 526.374 |
Chemical Identifiers
| CAS Number | 145733-57-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)C2=NC=C(C=C2)CCl |
Product Overview
2-(5-(Chloromethyl)pyridin-2-yl)benzonitrile (CAS 145733-57-9), with molecular formula C13H9ClN2 and molecular weight 228.05 g/mol. IUPAC: 2-[5-(chloromethyl)-2-pyridinyl]benzonitrile.
Chemical Property Profile of 2-(5-(Chloromethyl)pyridin-2-yl)benzonitrile
Property Insights of 2-(5-(Chloromethyl)pyridin-2-yl)benzonitrile
The XLogP value of 3.35908 indicates that 2-(5-(Chloromethyl)pyridin-2-yl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 2-(5-(Chloromethyl)pyridin-2-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-(Chloromethyl)pyridin-2-yl)benzonitrile 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 2-(5-(Chloromethyl)pyridin-2-yl)benzonitrile?
The CAS number of 2-(5-(Chloromethyl)pyridin-2-yl)benzonitrile is 145733-57-9.
What is the molecular formula of 2-(5-(Chloromethyl)pyridin-2-yl)benzonitrile?
The molecular formula of 2-(5-(Chloromethyl)pyridin-2-yl)benzonitrile is C13H9ClN2.
What is the molecular weight of 2-(5-(Chloromethyl)pyridin-2-yl)benzonitrile?
The molecular weight of 2-(5-(Chloromethyl)pyridin-2-yl)benzonitrile is 228.05 g/mol.
Where can I buy 2-(5-(Chloromethyl)pyridin-2-yl)benzonitrile?
You can request a quote for 2-(5-(Chloromethyl)pyridin-2-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-(Chloromethyl)pyridin-2-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-(Chloromethyl)pyridin-2-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.