2-Hydroxybenzonitrile
TL;DR: 2-Hydroxybenzonitrile (CAS 611-20-1) is a chemical compound with molecular formula C7H5NO and molecular weight 119.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxybenzonitrile
Also Known As: 2-Hydroxybenzonitrile, 2-Cyanophenol, Salicylonitrile, o-Cyanophenol, o-Hydroxybenzonitrile
| Molecular Formula | C7H5NO |
|---|---|
| Molecular Weight | 119.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 119.03712 |
| Heavy Atoms | 9 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 611-20-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)O |
| InChIKey | CHZCERSEMVWNHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxybenzonitrile (CAS 611-20-1), with molecular formula C7H5NO and molecular weight 119.04 g/mol. IUPAC: 2-hydroxybenzonitrile.
Chemical Property Profile of 2-Hydroxybenzonitrile
Property Insights of 2-Hydroxybenzonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxybenzonitrile. With a topological polar surface area (TPSA) of 44.0 Ų, 2-Hydroxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxybenzonitrile has 1 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-Hydroxybenzonitrile?
The CAS number of 2-Hydroxybenzonitrile is 611-20-1.
What is the molecular formula of 2-Hydroxybenzonitrile?
The molecular formula of 2-Hydroxybenzonitrile is C7H5NO.
What is the molecular weight of 2-Hydroxybenzonitrile?
The molecular weight of 2-Hydroxybenzonitrile is 119.04 g/mol.
Where can I buy 2-Hydroxybenzonitrile?
You can request a quote for 2-Hydroxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.