Ethyl 5-Bromopyridine-2-carboxylate - CAS 77199-09-8

Catalog:	BB035856
Product Name:	Ethyl 5-Bromopyridine-2-carboxylate
CAS:	77199-09-8
Synonyms:	5-bromo-2-pyridinecarboxylic acid ethyl ester; ethyl 5-bromopyridine-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 5-bromopyridine-2-carboxylate
Description:	Ethyl 5-Bromopyridine-2-carboxylate (CAS# 77199-09-8) is a useful research chemical.
Molecular Weight:	230.06
Molecular Formula:	C8H8BrNO2
Canonical SMILES:	CCOC(=O)C1=NC=C(C=C1)Br
InChI:	InChI=1S/C8H8BrNO2/c1-2-12-8(11)7-4-3-6(9)5-10-7/h3-5H,2H2,1H3
InChI Key:	MVJPVDSRSXLJNQ-UHFFFAOYSA-N
Boiling Point:	303.7 °C at 760 mmHg
Density:	1.501 g/cm³
MDL:	MFCD00234415
LogP:	2.02080

Publication Number	Title	Priority Date
WO-2021016333-A1	Aryl sulfonamides as small molecule stat3 inhibitors	20190722
EP-3412669-A1	Tricyclic compound for bromodomain-containing protein inhibitor and preparation, pharmaceutical composition, and application thereof	20160205
JP-2019508494-A	Tricyclic compounds of bromo domain protein inhibitors and their preparation, pharmaceutical compositions and uses	20160205
US-2019040063-A1	Tricyclic compound for bromodomain-containing protein inhibitor and preparation pharmaceutical composition, and application thereof	20160205
WO-2017133681-A1	Tricyclic compound for bromodomain-containing protein inhibitor and preparation, pharmaceutical composition, and application thereof	20160205

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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:	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:	1.6