N-Methyl-2-pyridone - CAS 694-85-9

Name: N-Methyl-2-pyridone
Brand: BOC Sciences
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Technical Data

IUPAC Name:	1-methylpyridin-2-one
Description:	N-Methyl-2-pyridone (CAS# 694-85-9) is used as a reactant in the trifluoromethylation of arenes and heteroarenes by means of photoredox catalysis.
Molecular Weight:	109.13
Molecular Formula:	C6H7NO
Canonical SMILES:	CN1C=CC=CC1=O
InChI:	InChI=1S/C6H7NO/c1-7-5-3-2-4-6(7)8/h2-5H,1H3
InChI Key:	DVVGIUUJYPYENY-UHFFFAOYSA-N
Boiling Point:	250 °C (740 mmHg)
Melting Point:	30-32 °C
Purity:	95 %
Density:	1.11 g/cm³
Appearance:	Clear yellowish to brown-red liquid after melting
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00006520
LogP:	0.38530
Vapor Pressure:	0.06 [mmHg]

Publication Number	Title	Priority Date
US-2021154179-A1	Substituted pyridines and methods of use	20191122
US-2021130328-A1	Novel compounds with thymine skeleton for use in medicine	20191105
WO-2021087086-A1	Condensed pyridazine or pyrimidine as btk inhibitors	20191030
WO-2021071806-A1	Arylmethylene heterocyclic compounds as kv1.3 potassium shaker channel blockers	20191007
WO-2021071843-A1	Muscarinic acetylcholine m1 receptor antagonists	20191007

PMID	Publication Date	Title	Journal
22971246	20121004	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
21621998	20110701	Renin inhibitors for the treatment of hypertension: design and optimization of a novel series of pyridone-substituted piperidines	Bioorganic & medicinal chemistry letters
20223714	20100401	Simultaneous determination of nicotinic acid and its four metabolites in rat plasma using high performance liquid chromatography with tandem mass spectrometric detection (LC/MS/MS)	Journal of chromatography. B, Analytical technologies in the biomedical and life sciences
19578263	20090701	Structural effects on the solid-state photodimerization of 2-pyridone derivatives in inclusion compounds	Acta crystallographica. Section C, Crystal structure communications
17571283	20070901	The comparative bioavailability of an extended-release niacin and lovastatin fixed dose combination tablet versus extended-release niacin tablet, lovastatin tablet and a combination of extended-release niacin tablet and lovastatin tablet	Biopharmaceutics & drug disposition

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	109.052763847
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	109.052763847
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2