2-Methyl-1-(3-pyridyl)-1-propanone - CAS 51227-29-3

Name: 2-Methyl-1-(3-pyridyl)-1-propanone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027374
Product Name:	2-Methyl-1-(3-pyridyl)-1-propanone
CAS:	51227-29-3
Synonyms:	2-methyl-1-(3-pyridinyl)-1-propanone; 2-methyl-1-pyridin-3-ylpropan-1-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-methyl-1-pyridin-3-ylpropan-1-one
Description:	2-Methyl-1-(3-pyridyl)-1-propanone (CAS# 51227-29-3) is a useful research chemical.
Molecular Weight:	149.19
Molecular Formula:	C9H11NO
Canonical SMILES:	CC(C)C(=O)C1=CN=CC=C1
InChI:	InChI=1S/C9H11NO/c1-7(2)9(11)8-4-3-5-10-6-8/h3-7H,1-2H3
InChI Key:	TWDULYDQIGVEKY-UHFFFAOYSA-N
Boiling Point:	245.743 °C at 760 mmHg
Density:	1.011 g/cm³
MDL:	MFCD09864465
LogP:	1.92030

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[104496-91-5]C7H9N3OS
2-(Pyridin-2-ylthio)acetohydrazide

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
US-2020392130-A1	SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS	20190614
US-2020030327-A1	Anti-hiv compounds	20180730
US-2021107909-A1	Small molecule modulators of par2 and uses thereof	20180409
WO-2019149260-A1	Pyridazinol compound, derivative thereof, preparation method therefor, herbicidal composition and use thereof	20180202
US-2019192668-A1	Irak degraders and uses thereof	20171226

Complexity:	143
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.084063974
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	149.084063974
Rotatable Bond Count:	2
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5