Ethyl 2-Chloropyridine-4-carboxylate - CAS 54453-93-9

Catalog:	BB028672
Product Name:	Ethyl 2-Chloropyridine-4-carboxylate
CAS:	54453-93-9
Synonyms:	2-chloro-4-pyridinecarboxylic acid ethyl ester; ethyl 2-chloropyridine-4-carboxylate

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Computed Properties

IUPAC Name:	ethyl 2-chloropyridine-4-carboxylate
Description:	Ethyl 2-Chloropyridine-4-carboxylate (CAS# 54453-93-9) is a useful research chemical.
Molecular Weight:	185.61
Molecular Formula:	C8H8ClNO2
Canonical SMILES:	CCOC(=O)C1=CC(=NC=C1)Cl
InChI:	InChI=1S/C8H8ClNO2/c1-2-12-8(11)6-3-4-10-7(9)5-6/h3-5H,2H2,1H3
InChI Key:	IGRLNCOFYMWKBU-UHFFFAOYSA-N
Boiling Point:	269.2 °C at 760 mmHg
Density:	1.245 g/cm³
Appearance:	Liquid
MDL:	MFCD04114259
LogP:	1.91170

Publication Number	Title	Priority Date
CN-113264945-A	Spiro derivative, preparation method and medical application thereof	20200217
US-10703748-B2	Diazanaphthalen-3-yl carboxamides and preparation and use thereof	20171031
US-2019127370-A1	Diazanaphthalen-3-yl carboxamides and preparation and use thereof	20171031
US-10653688-B2	6-(6-membered heteroaryl and aryl)isoquinolin-3-yl carboxamides and preparation and use thereof	20171027
US-2019125740-A1	6-(6-membered heteroaryl & aryl)isoquinolin-3-yl carboxamides and preparation and use thereof	20171027

PMID	Publication Date	Title	Journal
18598035	20080813	4-Pyridyl carbonyl compounds as thrips lures: effectiveness for Western flower thrips in y-tube bioassays	Journal of agricultural and food chemistry
17602496	20070725	4-pyridyl carbonyl and related compounds as thrips lures: effectiveness for onion thrips and new zealand flower thrips in field experiments	Journal of agricultural and food chemistry

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Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.0243562
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	185.0243562
Rotatable Bond Count:	3
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8