1-(2-Chloro-5-pyrimidyl)ethanone - CAS 110100-00-0

Name: 1-(2-Chloro-5-pyrimidyl)ethanone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB002591
Product Name:	1-(2-Chloro-5-pyrimidyl)ethanone
CAS:	110100-00-0
Synonyms:	1-(2-chloro-5-pyrimidinyl)ethanone; 1-(2-chloropyrimidin-5-yl)ethanone

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(2-chloropyrimidin-5-yl)ethanone
Description:	1-(2-Chloro-5-pyrimidyl)ethanone (CAS# 110100-00-0) is a useful building block used in the synthesis of 5-pyrimidinyl ketones with Mn(II) reagents.
Molecular Weight:	156.57
Molecular Formula:	C6H5ClN2O
Canonical SMILES:	CC(=O)C1=CN=C(N=C1)Cl
InChI:	InChI=1S/C6H5ClN2O/c1-4(10)5-2-8-6(7)9-3-5/h2-3H,1H3
InChI Key:	LISVHIVILJZRDH-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	1.33260

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[17746-05-3]C11H21ClO
Undecanoyl chloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[59855-96-8]C6H7NO3S
2-(Methoxymethyl)thiazole-5-carboxylic Acid

Publication Number	Title	Priority Date
WO-2020248065-A1	Unsaturated heterocycloalkyl and heteroaromatic acyl hydrazone linkers, methods and uses thereof	20190612
US-2020231584-A1	PCSK9 Inhibitors and Methods of Use Thereof	20190118
US-2020291041-A1	PCSK9 Inhibitors and Methods of Use Thereof	20190118
WO-2020150473-A2	Pcsk9 inhibitors and methods of use thereof	20190118
WO-2020150474-A1	Pcsk9 inhibitors and methods of use thereof	20190118

Complexity:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.0090405
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	156.0090405
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8