Ethyl 6-Chloropyridine-3-acetate - CAS 197376-47-9

Catalog:	BB015250
Product Name:	Ethyl 6-Chloropyridine-3-acetate
CAS:	197376-47-9
Synonyms:	2-(6-chloro-3-pyridinyl)acetic acid ethyl ester; ethyl 2-(6-chloropyridin-3-yl)acetate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-(6-chloropyridin-3-yl)acetate
Description:	Ethyl 6-Chloropyridine-3-acetate (CAS# 197376-47-9) is a useful research chemical.
Molecular Weight:	199.63
Molecular Formula:	C9H10ClNO2
Canonical SMILES:	CCOC(=O)CC1=CN=C(C=C1)Cl
InChI:	InChI=1S/C9H10ClNO2/c1-2-13-9(12)5-7-3-4-8(10)11-6-7/h3-4,6H,2,5H2,1H3
InChI Key:	HNMKCAOYIPYXRD-UHFFFAOYSA-N
Boiling Point:	285.8 °C at 760 mmHg
Density:	1.217 g/cm³
LogP:	1.84060

Publication Number	Title	Priority Date
WO-2021188936-A1	Phd inhibitor compounds, compositions, and use	20200320
WO-2021126693-A1	Gem-disubstituted piperidine melanocortin subtype-2 receptor (mc2r) antagonists and uses thereof	20191218
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US-10364208-B2	Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis	20170105
US-2018186721-A1	Oxidative coupling of aryl boron reagents with sp3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis	20170105

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Complexity:	175
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.0400063
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.0400063
Rotatable Bond Count:	4
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2