Ethyl 6-Bromo-2-pyridinecarboxylate - CAS 21190-88-5

Catalog:	BB016675
Product Name:	Ethyl 6-Bromo-2-pyridinecarboxylate
CAS:	21190-88-5
Synonyms:	6-bromo-2-pyridinecarboxylic acid ethyl ester; ethyl 6-bromopyridine-2-carboxylate

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Computed Properties

IUPAC Name:	ethyl 6-bromopyridine-2-carboxylate
Description:	Ethyl 6-Bromo-2-pyridinecarboxylate (CAS# 21190-88-5) is a useful research chemical.
Molecular Weight:	230.06
Molecular Formula:	C8H8BrNO2
Canonical SMILES:	CCOC(=O)C1=NC(=CC=C1)Br
InChI:	InChI=1S/C8H8BrNO2/c1-2-12-8(11)6-4-3-5-7(9)10-6/h3-5H,2H2,1H3
InChI Key:	OONBOXSIWCBAHZ-UHFFFAOYSA-N
Boiling Point:	302.7 °C at 760 mmHg
Density:	1.501 g/cm³
MDL:	MFCD04116913
LogP:	2.02080

Publication Number	Title	Priority Date
KR-20210081286-A	Novel Amino Aryl Derivatives and Their Use as Inhibitors against Diacylglycerol Acyltransferase 2	20191223
WO-2021133035-A1	Novel amino aryl derivative useful as diacylglycerol acyltransferase 2 inhibitor and use thereof	20191223
WO-2021057785-A1	Irak inhibitor and preparation method therefor and use thereof	20190924
WO-2021019051-A1	Inhibitors of human atgl	20190730
WO-2021018118-A1	Compounds and methods for the targeted degradation of interleukin-1 receptor-associated kinase 1 proteins	20190729

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GHS Hazard Statement:	H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:	228.97384
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	228.97384
Rotatable Bond Count:	3
Topological Polar Surface Area:	39.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4