3-Cyano-1-methyl-1,2,5,6-tetrahydropyridine
TL;DR: 3-Cyano-1-methyl-1,2,5,6-tetrahydropyridine (CAS 5657-66-9) is a chemical compound with molecular formula C7H10N2 and molecular weight 122.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3,6-dihydro-2H-pyridine-5-carbonitrile
Also Known As: 3-cyano-1-methyl-1,2,5,6-tetrahydropyridine, 3Cyano-1-methyl-1,2,5,6-tetrahydropyridine, J1.418.306J, 1-methyl-3-cyano-1,2,5,6-tetrahydropyridine, 1-methyl-5-cyano-1,2,3,6-tetrahydropyridine
| Molecular Formula | C7H10N2 |
|---|---|
| Molecular Weight | 122.08 g/mol |
| LogP | 0.77188 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.0844 |
| Heavy Atoms | 9 |
| Complexity | 164.2452 |
Chemical Identifiers
| CAS Number | 5657-66-9 |
|---|---|
| SMILES | CN1CCC=C(C1)C#N |
Product Overview
3-Cyano-1-methyl-1,2,5,6-tetrahydropyridine (CAS 5657-66-9), with molecular formula C7H10N2 and molecular weight 122.08 g/mol. IUPAC: 1-methyl-3,6-dihydro-2H-pyridine-5-carbonitrile.
Chemical Property Profile of 3-Cyano-1-methyl-1,2,5,6-tetrahydropyridine
Property Insights of 3-Cyano-1-methyl-1,2,5,6-tetrahydropyridine
The XLogP value of 0.77188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyano-1-methyl-1,2,5,6-tetrahydropyridine. With a topological polar surface area (TPSA) of 27.03 Ų, 3-Cyano-1-methyl-1,2,5,6-tetrahydropyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyano-1-methyl-1,2,5,6-tetrahydropyridine has 0 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 3-Cyano-1-methyl-1,2,5,6-tetrahydropyridine?
The CAS number of 3-Cyano-1-methyl-1,2,5,6-tetrahydropyridine is 5657-66-9.
What is the molecular formula of 3-Cyano-1-methyl-1,2,5,6-tetrahydropyridine?
The molecular formula of 3-Cyano-1-methyl-1,2,5,6-tetrahydropyridine is C7H10N2.
What is the molecular weight of 3-Cyano-1-methyl-1,2,5,6-tetrahydropyridine?
The molecular weight of 3-Cyano-1-methyl-1,2,5,6-tetrahydropyridine is 122.08 g/mol.
Where can I buy 3-Cyano-1-methyl-1,2,5,6-tetrahydropyridine?
You can request a quote for 3-Cyano-1-methyl-1,2,5,6-tetrahydropyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyano-1-methyl-1,2,5,6-tetrahydropyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-1-methyl-1,2,5,6-tetrahydropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.