1,4,5,6-Tetrahydro-3-pyridinecarbonitrile
TL;DR: 1,4,5,6-Tetrahydro-3-pyridinecarbonitrile (CAS 75754-25-5) is a chemical compound with molecular formula C6H8N2 and molecular weight 108.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4-tetrahydropyridine-5-carbonitrile
Also Known As: 1,4,5,6-TETRAHYDROPYRIDINE-3-CARBONITRILE, (4-Bromobenzoyl)acetone, 1,4,5,6-Tetrahydro-3-pyridinecarbonitrile, 1,2,3,4-tetrahydropyridine-5-carbonitrile, 1,4,5,6-tetrahydro-pyridine-3-carbonitrile
| Molecular Formula | C6H8N2 |
|---|---|
| Molecular Weight | 108.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 108.06875 |
| Heavy Atoms | 8 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 75754-25-5 |
|---|---|
| SMILES | C1CC(=CNC1)C#N |
| InChIKey | UWFYMNQYYJQPRQ-UHFFFAOYSA-N |
Product Overview
1,4,5,6-Tetrahydro-3-pyridinecarbonitrile (CAS 75754-25-5), with molecular formula C6H8N2 and molecular weight 108.07 g/mol. IUPAC: 1,2,3,4-tetrahydropyridine-5-carbonitrile.
Chemical Property Profile of 1,4,5,6-Tetrahydro-3-pyridinecarbonitrile
Property Insights of 1,4,5,6-Tetrahydro-3-pyridinecarbonitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,5,6-Tetrahydro-3-pyridinecarbonitrile. With a topological polar surface area (TPSA) of 35.8 Ų, 1,4,5,6-Tetrahydro-3-pyridinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,5,6-Tetrahydro-3-pyridinecarbonitrile has 1 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 1,4,5,6-Tetrahydro-3-pyridinecarbonitrile?
The CAS number of 1,4,5,6-Tetrahydro-3-pyridinecarbonitrile is 75754-25-5.
What is the molecular formula of 1,4,5,6-Tetrahydro-3-pyridinecarbonitrile?
The molecular formula of 1,4,5,6-Tetrahydro-3-pyridinecarbonitrile is C6H8N2.
What is the molecular weight of 1,4,5,6-Tetrahydro-3-pyridinecarbonitrile?
The molecular weight of 1,4,5,6-Tetrahydro-3-pyridinecarbonitrile is 108.07 g/mol.
Where can I buy 1,4,5,6-Tetrahydro-3-pyridinecarbonitrile?
You can request a quote for 1,4,5,6-Tetrahydro-3-pyridinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,5,6-Tetrahydro-3-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,4,5,6-Tetrahydro-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.