2,6-Dihydroxybenzonitrile
TL;DR: 2,6-Dihydroxybenzonitrile (CAS 57764-46-2) is a chemical compound with molecular formula C7H5NO2 and molecular weight 135.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dihydroxybenzonitrile
Also Known As: 2,6-Dihydroxybenzonitrile, 2,6dihydroxybenzonitrile, 2-Iodo-5-aminopyridine, Benzonitrile,2,6-dihydroxy-, 2,6-Dihydroxy-benzonitrile
| Molecular Formula | C7H5NO2 |
|---|---|
| Molecular Weight | 135.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.03203 |
| Heavy Atoms | 10 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 57764-46-2 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)O)C#N)O |
| InChIKey | IEQIEHQVSNLTNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dihydroxybenzonitrile (CAS 57764-46-2), with molecular formula C7H5NO2 and molecular weight 135.03 g/mol. IUPAC: 2,6-dihydroxybenzonitrile.
Chemical Property Profile of 2,6-Dihydroxybenzonitrile
Property Insights of 2,6-Dihydroxybenzonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dihydroxybenzonitrile. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dihydroxybenzonitrile. Following Lipinski's Rule of Five, 2,6-Dihydroxybenzonitrile has 2 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 2,6-Dihydroxybenzonitrile?
The CAS number of 2,6-Dihydroxybenzonitrile is 57764-46-2.
What is the molecular formula of 2,6-Dihydroxybenzonitrile?
The molecular formula of 2,6-Dihydroxybenzonitrile is C7H5NO2.
What is the molecular weight of 2,6-Dihydroxybenzonitrile?
The molecular weight of 2,6-Dihydroxybenzonitrile is 135.03 g/mol.
Where can I buy 2,6-Dihydroxybenzonitrile?
You can request a quote for 2,6-Dihydroxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dihydroxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dihydroxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.