2-(Boc-amino)-4-bromopyridine - CAS 207799-10-8

Catalog:	BB016286
Product Name:	2-(Boc-amino)-4-bromopyridine
CAS:	207799-10-8
Synonyms:	N-(4-bromo-2-pyridinyl)carbamic acid tert-butyl ester; tert-butyl N-(4-bromopyridin-2-yl)carbamate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl N-(4-bromopyridin-2-yl)carbamate
Description:	2-(Boc-amino)-4-bromopyridine (CAS# 207799-10-8) is a useful research chemical.
Molecular Weight:	273.13
Molecular Formula:	C10H13BrN2O2
Canonical SMILES:	CC(C)(C)OC(=O)NC1=NC=CC(=C1)Br
InChI:	InChI=1S/C10H13BrN2O2/c1-10(2,3)15-9(14)13-8-6-7(11)4-5-12-8/h4-6H,1-3H3,(H,12,13,14)
InChI Key:	IRRRVCLDPODLJG-UHFFFAOYSA-N
Boiling Point:	296.698 °C at 760 mmHg
Density:	1.454 g/cm³
Appearance:	Solid
MDL:	MFCD09037866
LogP:	3.26410

Publication Number	Title	Priority Date
CN-112480101-A	IRAK4 kinase inhibitor and preparation and application thereof	20190912
WO-2021047677-A1	Irak4 kinase inhibitor and preparation thereof and use thereof	20190912
WO-2020264499-A1	Irak degraders and uses thereof	20190628
WO-2020239658-A1	Novel compounds and pharmaceutical compositions thereof for the treatment of diseases	20190529
WO-2020198026-A1	Compounds and uses thereof	20190322

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Related Functional Groups

Amines and Anilines

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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:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	272.01604
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	272.01604
Rotatable Bond Count:	3
Topological Polar Surface Area:	51.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4