tert-Butyl 5-Bromopyridine-2-carboxylate - CAS 845306-08-3

Catalog:	BB037225
Product Name:	tert-Butyl 5-Bromopyridine-2-carboxylate
CAS:	845306-08-3
Synonyms:	5-bromo-2-pyridinecarboxylic acid tert-butyl ester; tert-butyl 5-bromopyridine-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 5-bromopyridine-2-carboxylate
Description:	tert-Butyl 5-Bromopyridine-2-carboxylate (CAS# 845306-08-3) is a useful research chemical.
Molecular Weight:	258.11
Molecular Formula:	C10H12BrNO2
Canonical SMILES:	CC(C)(C)OC(=O)C1=NC=C(C=C1)Br
InChI:	InChI=1S/C10H12BrNO2/c1-10(2,3)14-9(13)8-5-4-7(11)6-12-8/h4-6H,1-3H3
InChI Key:	GBAJDPJECJPPSP-UHFFFAOYSA-N
Boiling Point:	317.6 °C at 760 mmHg
Density:	1.385 g/cm³
LogP:	2.79940

Publication Number	Title	Priority Date
WO-2021157684-A1	Sulfonamide or sulfinamide compound having effect of inducing brd4 protein degradation and pharmaceutical use thereof	20200206
WO-2021130259-A1	Dihydrocyclopenta-isoquinoline-sulfonamide derivatives compounds	20191223
US-2021154179-A1	Substituted pyridines and methods of use	20191122
WO-2021102468-A1	Substituted 1,5-naphthyridines or quinolines as alk5 inhibitors	20191122
WO-2021095801-A1	Azabenzimidazole compound and medicine	20191113

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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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	257.00514
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	257.00514
Rotatable Bond Count:	3
Topological Polar Surface Area:	39.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7