3-Pyridinecarbonitrile, 2,6-dimethyl-4-(1-pyrrolidinyl)-, 1-oxide, monohydrochloride
TL;DR: 3-Pyridinecarbonitrile, 2,6-dimethyl-4-(1-pyrrolidinyl)-, 1-oxide, monohydrochloride (CAS 106101-26-2) is a chemical compound with molecular formula C12H16ClN3O and molecular weight 253.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethyl-1-oxido-4-pyrrolidin-1-ylpyridin-1-ium-3-carbonitrile;hydrochloride
Also Known As: 3-Pyridinecarbonitrile, 2,6-dimethyl-4-(1-pyrrolidinyl)-, 1-oxide, monohydrochloride, 2,6-Dimethyl-4-(1-pyrrolidinyl)-3-pyridinecarbonitrile 1-oxide monohydrochloride, 2,6-dimethyl-1-oxido-4-pyrrolidin-1-ylpyridin-1-ium-3-carbonitrile hydrochloride, 2,6-Dimethyl-1-oxo-4-(pyrrolidin-1-yl)-1lambda~5~-pyridine-3-carbonitrile--hydrogen chloride (1/1), RefChem:282042
| Molecular Formula | C12H16ClN3O |
|---|---|
| Molecular Weight | 253.10 g/mol |
| LogP | 1.83052 |
| Topological Polar Surface Area | 53.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.09819 |
| Heavy Atoms | 17 |
| Complexity | 461.79904 |
Chemical Identifiers
| CAS Number | 106101-26-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=[N+]1[O-])C)C#N)N2CCCC2.Cl |
Product Overview
3-Pyridinecarbonitrile, 2,6-dimethyl-4-(1-pyrrolidinyl)-, 1-oxide, monohydrochloride (CAS 106101-26-2), with molecular formula C12H16ClN3O and molecular weight 253.10 g/mol. IUPAC: 2,6-dimethyl-1-oxido-4-pyrrolidin-1-ylpyridin-1-ium-3-carbonitrile;hydrochloride.
Chemical Property Profile of 3-Pyridinecarbonitrile, 2,6-dimethyl-4-(1-pyrrolidinyl)-, 1-oxide, monohydrochloride
Property Insights of 3-Pyridinecarbonitrile, 2,6-dimethyl-4-(1-pyrrolidinyl)-, 1-oxide, monohydrochloride
The XLogP value of 1.83052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarbonitrile, 2,6-dimethyl-4-(1-pyrrolidinyl)-, 1-oxide, monohydrochloride. With a topological polar surface area (TPSA) of 53.97 Ų, 3-Pyridinecarbonitrile, 2,6-dimethyl-4-(1-pyrrolidinyl)-, 1-oxide, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarbonitrile, 2,6-dimethyl-4-(1-pyrrolidinyl)-, 1-oxide, monohydrochloride has 0 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 3-Pyridinecarbonitrile, 2,6-dimethyl-4-(1-pyrrolidinyl)-, 1-oxide, monohydrochloride?
The CAS number of 3-Pyridinecarbonitrile, 2,6-dimethyl-4-(1-pyrrolidinyl)-, 1-oxide, monohydrochloride is 106101-26-2.
What is the molecular formula of 3-Pyridinecarbonitrile, 2,6-dimethyl-4-(1-pyrrolidinyl)-, 1-oxide, monohydrochloride?
The molecular formula of 3-Pyridinecarbonitrile, 2,6-dimethyl-4-(1-pyrrolidinyl)-, 1-oxide, monohydrochloride is C12H16ClN3O.
What is the molecular weight of 3-Pyridinecarbonitrile, 2,6-dimethyl-4-(1-pyrrolidinyl)-, 1-oxide, monohydrochloride?
The molecular weight of 3-Pyridinecarbonitrile, 2,6-dimethyl-4-(1-pyrrolidinyl)-, 1-oxide, monohydrochloride is 253.10 g/mol.
Where can I buy 3-Pyridinecarbonitrile, 2,6-dimethyl-4-(1-pyrrolidinyl)-, 1-oxide, monohydrochloride?
You can request a quote for 3-Pyridinecarbonitrile, 2,6-dimethyl-4-(1-pyrrolidinyl)-, 1-oxide, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarbonitrile, 2,6-dimethyl-4-(1-pyrrolidinyl)-, 1-oxide, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarbonitrile, 2,6-dimethyl-4-(1-pyrrolidinyl)-, 1-oxide, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.