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694-85-9 | 1-Methyl-2-pyridone
CAS No: 694-85-9 Catalog No: AG00328F MDL No:MFCD00006520
Product Description
Catalog Number:
AG00328F
Chemical Name:
1-Methyl-2-pyridone
CAS Number:
694-85-9
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
MDL Number:
MFCD00006520
IUPAC Name:
1-methylpyridin-2-one
InChI:
InChI=1S/C6H7NO/c1-7-5-3-2-4-6(7)8/h2-5H,1H3
InChI Key:
DVVGIUUJYPYENY-UHFFFAOYSA-N
SMILES:
O=c1ccccn1C
EC Number:
211-777-2
UNII:
NY6MVO4K7R
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.053g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
109.128g/mol
Monoisotopic Mass:
109.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Scalar relaxation of the second kind: a potential source of information on the dynamics of molecular movements. 1. Investigation of solution reorientation of N-methylpyridone and 1,3-dimethyluracil using measurements of longitudinal relaxation rates in the rotating frame. | The journal of physical chemistry. A 20121004 |
| Renin inhibitors for the treatment of hypertension: design and optimization of a novel series of pyridone-substituted piperidines. | Bioorganic & medicinal chemistry letters 20110701 |
| Carbanions from decarboxylation of orotate analogs: stability and mechanistic implications. | Bioorganic chemistry 20070801 |
| Spectroscopic studies on methyl torsional behavior in 1-methyl-2(1H)-pyridone, 1-methyl-2(1H)-pyridinimine, and 3-methyl-2(1H)-pyridone. I. Excited state. | The Journal of chemical physics 20070321 |
| Origin of methyl torsional barrier in 1-methyl-2(1H)-pyridinimine and 3-methyl-2(1H)-pyridone: II. Ground state. | The Journal of chemical physics 20070321 |
| Stability of the 6-carbanion of uracil analogues: mechanistic implications for model reactions of orotidine-5'-monophosphate decarboxylase. | Organic letters 20061221 |
| Evaluation of volatile ion-pair reagents for the liquid chromatography-mass spectrometry analysis of polar compounds and its application to the determination of methadone in human plasma. | Journal of pharmaceutical and biomedical analysis 20060224 |
| Origin of methyl torsional barrier in 1-methyl-2-(1H)-pyridone. | The Journal of chemical physics 20050522 |
| Microwave-assisted amination from aryl triflates without base and catalyst. | Organic letters 20040318 |
| FT-IR spectroscopic, AM1 and PM3 computational studies of conformation of natural products: cytisine. | Talanta 20020610 |
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