1,6-Dihydro-1-methyl-6-oxo-3-pyridinecarbonitrile
TL;DR: 1,6-Dihydro-1-methyl-6-oxo-3-pyridinecarbonitrile (CAS 768-45-6) is a chemical compound with molecular formula C7H6N2O and molecular weight 134.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-6-oxopyridine-3-carbonitrile
Also Known As: Nudiflorine, 1-Methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile, 1-methyl-6-oxopyridine-3-carbonitrile, N-methyl-5-cyano-2-pyridone, Nicotinonitrile, 1,6-dihydro-1-methyl-6-oxo-
| Molecular Formula | C7H6N2O |
|---|---|
| Molecular Weight | 134.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 134.04802 |
| Heavy Atoms | 10 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 768-45-6 |
|---|---|
| SMILES | CN1C=C(C=CC1=O)C#N |
| InChIKey | XICDFLICODYZJE-UHFFFAOYSA-N |
Product Overview
1,6-Dihydro-1-methyl-6-oxo-3-pyridinecarbonitrile (CAS 768-45-6), with molecular formula C7H6N2O and molecular weight 134.05 g/mol. IUPAC: 1-methyl-6-oxopyridine-3-carbonitrile.
Chemical Property Profile of 1,6-Dihydro-1-methyl-6-oxo-3-pyridinecarbonitrile
Property Insights of 1,6-Dihydro-1-methyl-6-oxo-3-pyridinecarbonitrile
The XLogP value of -0.2 indicates that 1,6-Dihydro-1-methyl-6-oxo-3-pyridinecarbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.1 Ų, 1,6-Dihydro-1-methyl-6-oxo-3-pyridinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-Dihydro-1-methyl-6-oxo-3-pyridinecarbonitrile 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 1,6-Dihydro-1-methyl-6-oxo-3-pyridinecarbonitrile?
The CAS number of 1,6-Dihydro-1-methyl-6-oxo-3-pyridinecarbonitrile is 768-45-6.
What is the molecular formula of 1,6-Dihydro-1-methyl-6-oxo-3-pyridinecarbonitrile?
The molecular formula of 1,6-Dihydro-1-methyl-6-oxo-3-pyridinecarbonitrile is C7H6N2O.
What is the molecular weight of 1,6-Dihydro-1-methyl-6-oxo-3-pyridinecarbonitrile?
The molecular weight of 1,6-Dihydro-1-methyl-6-oxo-3-pyridinecarbonitrile is 134.05 g/mol.
Where can I buy 1,6-Dihydro-1-methyl-6-oxo-3-pyridinecarbonitrile?
You can request a quote for 1,6-Dihydro-1-methyl-6-oxo-3-pyridinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Dihydro-1-methyl-6-oxo-3-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Dihydro-1-methyl-6-oxo-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.