6-Oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile
TL;DR: 6-Oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile (CAS 136772-39-9) is a chemical compound with molecular formula C11H7N3O and molecular weight 197.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
Also Known As: 6-Odbcn, Amrinone Related Compound C, Inamrinone nitrile [USP], 2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile, Amrinone (Inamrinone) Impurity 4
| Molecular Formula | C11H7N3O |
|---|---|
| Molecular Weight | 197.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.05891 |
| Heavy Atoms | 15 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 136772-39-9 |
|---|---|
| SMILES | C1=CN=CC=C1C2=CNC(=O)C(=C2)C#N |
| InChIKey | SEQOYYYZFNJQSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile (CAS 136772-39-9), with molecular formula C11H7N3O and molecular weight 197.06 g/mol. IUPAC: 2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 6-Oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile
Property Insights of 6-Oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile. Following Lipinski's Rule of Five, 6-Oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile has 1 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 6-Oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile?
The CAS number of 6-Oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile is 136772-39-9.
What is the molecular formula of 6-Oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile?
The molecular formula of 6-Oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile is C11H7N3O.
What is the molecular weight of 6-Oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile?
The molecular weight of 6-Oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile is 197.06 g/mol.
Where can I buy 6-Oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile?
You can request a quote for 6-Oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.