2-Amino-3-bromo-4-hydroxybenzonitrile
TL;DR: 2-Amino-3-bromo-4-hydroxybenzonitrile (CAS 102569-28-8) is a chemical compound with molecular formula C7H5BrN2O and molecular weight 211.95853 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-3-bromo-4-hydroxybenzonitrile
Also Known As: 2-amino-3-bromo-4-hydroxy-benzonitrile, 2-amino-3-bromo-4-hydroxybenzonitrile
Technical Specifications
| Molecular Formula | C7H5BrN2O |
| Molecular Weight | 211.95853 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.95853 Da |
| Heavy Atoms | 11 |
| Complexity | 188.0 |
| SMILES | C1=CC(=C(C(=C1C#N)N)Br)O |
| InChIKey | UJILRNUJOZUISJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Amino-3-bromo-4-hydroxybenzonitrile
Property Insights of 2-Amino-3-bromo-4-hydroxybenzonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3-bromo-4-hydroxybenzonitrile. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-bromo-4-hydroxybenzonitrile. Following Lipinski's Rule of Five, 2-Amino-3-bromo-4-hydroxybenzonitrile 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
What is the CAS number of 2-Amino-3-bromo-4-hydroxybenzonitrile?
The CAS number of 2-Amino-3-bromo-4-hydroxybenzonitrile is 102569-28-8.
What is the molecular formula of 2-Amino-3-bromo-4-hydroxybenzonitrile?
The molecular formula of 2-Amino-3-bromo-4-hydroxybenzonitrile is C7H5BrN2O.
What is the molecular weight of 2-Amino-3-bromo-4-hydroxybenzonitrile?
The molecular weight of 2-Amino-3-bromo-4-hydroxybenzonitrile is 211.95853 g/mol.
Where can I buy 2-Amino-3-bromo-4-hydroxybenzonitrile?
You can request a quote for 2-Amino-3-bromo-4-hydroxybenzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Amino-3-bromo-4-hydroxybenzonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Amino-3-bromo-4-hydroxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.