5-Bromo-2-hydroxypyrimidine - CAS 214290-49-0

Catalog:	BB016849
Product Name:	5-Bromo-2-hydroxypyrimidine
CAS:	214290-49-0
Synonyms:	5-bromo-1H-pyrimidin-2-one; 5-bromo-1H-pyrimidin-2-one

Technical Data

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Computed Properties

Description:	5-Bromo-2-hydroxypyrimidine (CAS# 214290-49-0) is a useful research chemical.
Molecular Weight:	174.98
Molecular Formula:	C4H3BrN2O
Canonical SMILES:	C1=C(C=NC(=O)N1)Br
InChI:	InChI=1S/C4H3BrN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)
InChI Key:	VTUDATOSQGYWML-UHFFFAOYSA-N
Boiling Point:	371.3 °C at 760 mmHg
Density:	2 g/cm³
LogP:	0.94470

Publication Number	Title	Priority Date
WO-2021149767-A1	Heterocyclic derivative	20200122
WO-2021011913-A1	Tau-protein targeting compounds and associated methods of use	20190717
US-2020360353-A1	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
WO-2020190754-A1	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
TW-202102495-A	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315

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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:	173
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.94288
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.94288
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2