Ethyl 6-Chloropyridine-2-carboxylate - CAS 21190-89-6

Catalog:	BB016676
Product Name:	Ethyl 6-Chloropyridine-2-carboxylate
CAS:	21190-89-6
Synonyms:	6-chloro-2-pyridinecarboxylic acid ethyl ester; ethyl 6-chloropyridine-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 6-chloropyridine-2-carboxylate
Description:	Ethyl 6-Chloropyridine-2-carboxylate (CAS# 21190-89-6) is a useful research chemical.
Molecular Weight:	185.61
Molecular Formula:	C8H8ClNO2
Canonical SMILES:	CCOC(=O)C1=NC(=CC=C1)Cl
InChI:	InChI=1S/C8H8ClNO2/c1-2-12-8(11)6-4-3-5-7(9)10-6/h3-5H,2H2,1H3
InChI Key:	ORSVWYSFUABOQU-UHFFFAOYSA-N
Boiling Point:	289.317 °C at 760 mmHg
Density:	1.246 g/cm³
Appearance:	Light yellow liuqid or low mp solid
LogP:	1.91170

Publication Number	Title	Priority Date
WO-2021018858-A1	6,7-dihydro-5h-pyrido[2,3-c]pyridazine derivatives and related compounds as bcl-xl protein inhibitors and pro-apoptotic agents for treating cancer	20190729
AU-2017284124-A1	Benzotriazole-derived Î± and Î² unsaturated amide compound used as TGF-Î²R1 inhibitor	20160613
CA-3027425-A1	Benzotriazole-derived .alpha. and .beta.-unsaturated amide compound used as tgf-.beta.r1 inhibitor	20160613
EP-3470409-A1	Benzotriazole-derived and unsaturated amide compound used as tgf- r1 inhibitor	20160613
EP-3470409-B1	Benzotriazole-derived alpha and beta-unsaturated amide compound used as tgf-beta ri inhibitor	20160613

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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

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4