3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo-
TL;DR: 3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo- (CAS 4241-27-4) 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.
6-methyl-2-oxo-1H-pyridine-3-carbonitrile
Also Known As: 2-hydroxy-6-methylnicotinonitrile, 3-Cyano-6-methyl-2(1H)-pyridinone, 3-Cyano-6-methyl-2-pyridone, 6-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile, 2-Hydroxy-6-methyl-nicotinonitrile
| Molecular Formula | C7H6N2O |
|---|---|
| Molecular Weight | 134.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 134.04802 |
| Heavy Atoms | 10 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 4241-27-4 |
|---|---|
| SMILES | CC1=CC=C(C(=O)N1)C#N |
| InChIKey | FIMGYEKEYXUTGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo- (CAS 4241-27-4), with molecular formula C7H6N2O and molecular weight 134.05 g/mol. IUPAC: 6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo-
Property Insights of 3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo-. With a topological polar surface area (TPSA) of 52.9 Ų, 3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo- 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 3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo-?
The CAS number of 3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo- is 4241-27-4.
What is the molecular formula of 3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo-?
The molecular formula of 3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo- is C7H6N2O.
What is the molecular weight of 3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo-?
The molecular weight of 3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo- is 134.05 g/mol.
Where can I buy 3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo-?
You can request a quote for 3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.