1-(4-Chloro-6-methyl-2-pyridyl)ethanone - CAS 339586-00-4

Catalog:	BB021913
Product Name:	1-(4-Chloro-6-methyl-2-pyridyl)ethanone
CAS:	339586-00-4
Synonyms:	1-(4-chloro-6-methyl-2-pyridinyl)ethanone; 1-(4-chloro-6-methylpyridin-2-yl)ethanone

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(4-chloro-6-methylpyridin-2-yl)ethanone
Description:	1-(4-Chloro-6-methyl-2-pyridyl)ethanone (CAS# 339586-00-4 ) is a useful research chemical.
Molecular Weight:	169.61
Molecular Formula:	C8H8ClNO
Canonical SMILES:	CC1=CC(=CC(=N1)C(=O)C)Cl
InChI:	InChI=1S/C8H8ClNO/c1-5-3-7(9)4-8(10-5)6(2)11/h3-4H,1-2H3
InChI Key:	NLXINSLPJMHYKN-UHFFFAOYSA-N
LogP:	2.24600

Publication Number	Title	Priority Date
JP-2018131431-A	Hydrazone derivatives and pest control agents	20160531
US-2016185723-A1	C-h fluorination of heterocycles with silver (ii) fluoride	20130726
US-9701635-B2	C-H fluorination of heterocycles with silver (II) fluoride	20130726
JP-WO2002064566-A1	Oxime O-ether compounds and agricultural and horticultural fungicides	20010214
AU-1055301-A	Oxime o-ether compounds and fungicides for agricultural and horticultural use	19991105

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Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.0294416
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	169.0294416
Rotatable Bond Count:	1
Topological Polar Surface Area:	30
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9