2-(6-Bromopyridin-2-yl)acetonitrile
TL;DR: 2-(6-Bromopyridin-2-yl)acetonitrile (CAS 112575-11-8) is a chemical compound with molecular formula C7H5BrN2 and molecular weight 195.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-bromo-2-pyridinyl)acetonitrile
Also Known As: 2-(6-bromopyridin-2-yl)acetonitrile, 2-Bromo-6-(cyanomethyl)pyridine, (6-Bromo-pyridin-2-yl)-acetonitrile, (6-bromopyridin-2-yl)acetonitrile, 2-pyridineacetonitrile, 6-bromo-
| Molecular Formula | C7H5BrN2 |
|---|---|
| Molecular Weight | 195.96 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.96361 |
| Heavy Atoms | 10 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 112575-11-8 |
|---|---|
| SMILES | C1=CC(=NC(=C1)Br)CC#N |
| InChIKey | WUYNZPVTHRDYDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(6-Bromopyridin-2-yl)acetonitrile (CAS 112575-11-8), with molecular formula C7H5BrN2 and molecular weight 195.96 g/mol. IUPAC: 2-(6-bromo-2-pyridinyl)acetonitrile.
Chemical Property Profile of 2-(6-Bromopyridin-2-yl)acetonitrile
Property Insights of 2-(6-Bromopyridin-2-yl)acetonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-Bromopyridin-2-yl)acetonitrile. With a topological polar surface area (TPSA) of 36.7 Ų, 2-(6-Bromopyridin-2-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6-Bromopyridin-2-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 2-(6-Bromopyridin-2-yl)acetonitrile?
The CAS number of 2-(6-Bromopyridin-2-yl)acetonitrile is 112575-11-8.
What is the molecular formula of 2-(6-Bromopyridin-2-yl)acetonitrile?
The molecular formula of 2-(6-Bromopyridin-2-yl)acetonitrile is C7H5BrN2.
What is the molecular weight of 2-(6-Bromopyridin-2-yl)acetonitrile?
The molecular weight of 2-(6-Bromopyridin-2-yl)acetonitrile is 195.96 g/mol.
Where can I buy 2-(6-Bromopyridin-2-yl)acetonitrile?
You can request a quote for 2-(6-Bromopyridin-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 2-(6-Bromopyridin-2-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Bromopyridin-2-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.