3-Methoxy-2-methyl-1H-pyridin-4-one - CAS 76015-11-7

Name: 3-Methoxy-2-methyl-1H-pyridin-4-one
Brand: BOC Sciences
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Catalog:	BB035477
Product Name:	3-Methoxy-2-methyl-1H-pyridin-4-one
CAS:	76015-11-7
Synonyms:	3-methoxy-2-methyl-1H-pyridin-4-one

Technical Data

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Patents

Computed Properties

IUPAC Name:	3-methoxy-2-methyl-1H-pyridin-4-one
Description:	3-Methoxy-2-methylpyridin-4(1H)-one has been used as a reactant for the synthesis of 4-pyridone nucleoside derivatives as potential antitumor agents.
Molecular Weight:	139.15
Molecular Formula:	C7H9NO2
Canonical SMILES:	CC1=C(C(=O)C=CN1)OC
InChI:	InChI=1S/C7H9NO2/c1-5-7(10-2)6(9)3-4-8-5/h3-4H,1-2H3,(H,8,9)
InChI Key:	GNWSQENQZGWCSW-UHFFFAOYSA-N
Boiling Point:	252.7 °C at 760 mmHg
Melting Point:	156-160 °C
Purity:	95 %
Density:	1.12 g/cm³
Appearance:	White solid
MDL:	MFCD03093994
LogP:	0.69190

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Related Functional Groups

Pyridines

[149463-07-0]C6H6Cl2FN
2-(Chloromethyl)-3-fluoropyridine Hydrochloride
[63585-69-3]C6H7ClN2O2
2-Methyl-3-nitropyridine Hydrochloride
[2122800-15-9]C16H19N2D
3-(Phenyl-4-D)-N,N-dimethyl-3-(2-pyridyl)-1-propanamine
[1198098-45-1]C11H12N2
3-Allyl-5-methyl-1H-pyrrolo[2,3-b]pyridine
[76006-14-9]C6H4ClN3
3-Chloro-1H-pyrazolo[3,4-c]pyridine
[1087659-19-5]C14H12N2O4
3-Methoxy-5-(phenylcarbamoyl)isonicotinic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021020363-A1	Heterocyclic compound	20190729
CN-110218207-B	Coumarin hybrid pyridone compound with iron chelation and monoamine oxidase B inhibition activity and preparation and application thereof	20190625
WO-2014041362-A1	Uv radiation cleavable compounds	20120914
CN-101875629-A	Industrial preparation method of pantoprazole intermediate pyridine hydrochloride	20100331
CN-101875629-B	Industrial preparation method of pantoprazole intermediate pyridine hydrochloride	20100331

Complexity:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.063328530
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	139.063328530
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7