5-Formyl-2-hydroxy-4-(phenylamino)pyridine-3-carbonitrile
TL;DR: 5-Formyl-2-hydroxy-4-(phenylamino)pyridine-3-carbonitrile (CAS 108958-64-1) is a chemical compound with molecular formula C13H9N3O2 and molecular weight 239.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-5-formyl-2-oxo-1H-pyridine-3-carbonitrile
Also Known As: 3-cyano-4-anilino-5-formyl-2-pyridone, 4-anilino-5-formyl-2-oxo-1H-pyridine-3-carbonitrile, 5-formyl-2-oxo-4-(phenylamino)piperidine-3-carbonitrile, 5-formyl-2-hydroxy-4-(phenylamino)pyridine-3-carbonitrile, 4-anilino-5-formyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
| Molecular Formula | C13H9N3O2 |
|---|---|
| Molecular Weight | 239.07 g/mol |
| LogP | 1.80268 |
| Topological Polar Surface Area | 85.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.06947 |
| Heavy Atoms | 18 |
| Complexity | 668.8711 |
Chemical Identifiers
| CAS Number | 108958-64-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C(=O)NC=C2C=O)C#N |
Product Overview
5-Formyl-2-hydroxy-4-(phenylamino)pyridine-3-carbonitrile (CAS 108958-64-1), with molecular formula C13H9N3O2 and molecular weight 239.07 g/mol. IUPAC: 4-anilino-5-formyl-2-oxo-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 5-Formyl-2-hydroxy-4-(phenylamino)pyridine-3-carbonitrile
Property Insights of 5-Formyl-2-hydroxy-4-(phenylamino)pyridine-3-carbonitrile
The XLogP value of 1.80268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Formyl-2-hydroxy-4-(phenylamino)pyridine-3-carbonitrile. The TPSA of 85.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Formyl-2-hydroxy-4-(phenylamino)pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 5-Formyl-2-hydroxy-4-(phenylamino)pyridine-3-carbonitrile has 2 hydrogen bond donor(s) and 4 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 5-Formyl-2-hydroxy-4-(phenylamino)pyridine-3-carbonitrile?
The CAS number of 5-Formyl-2-hydroxy-4-(phenylamino)pyridine-3-carbonitrile is 108958-64-1.
What is the molecular formula of 5-Formyl-2-hydroxy-4-(phenylamino)pyridine-3-carbonitrile?
The molecular formula of 5-Formyl-2-hydroxy-4-(phenylamino)pyridine-3-carbonitrile is C13H9N3O2.
What is the molecular weight of 5-Formyl-2-hydroxy-4-(phenylamino)pyridine-3-carbonitrile?
The molecular weight of 5-Formyl-2-hydroxy-4-(phenylamino)pyridine-3-carbonitrile is 239.07 g/mol.
Where can I buy 5-Formyl-2-hydroxy-4-(phenylamino)pyridine-3-carbonitrile?
You can request a quote for 5-Formyl-2-hydroxy-4-(phenylamino)pyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Formyl-2-hydroxy-4-(phenylamino)pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Formyl-2-hydroxy-4-(phenylamino)pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.