2-Bromo-4-hydroxypyridine - CAS 36953-40-9

Catalog:	BB023150
Product Name:	2-Bromo-4-hydroxypyridine
CAS:	36953-40-9
Synonyms:	2-bromo-1H-pyridin-4-one; 2-bromo-1H-pyridin-4-one

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-1H-pyridin-4-one
Description:	2-Bromo-4-hydroxypyridine (CAS# 36953-40-9) is a useful research chemical.
Molecular Weight:	174.00
Molecular Formula:	C5H4BrNO
Canonical SMILES:	C1=CNC(=CC1=O)Br
InChI:	InChI=1S/C5H4BrNO/c6-5-3-4(8)1-2-7-5/h1-3H,(H,7,8)
InChI Key:	GGXSDQDNOMWAFV-UHFFFAOYSA-N
Boiling Point:	244.6 °C at 760 mmHg
Density:	1.776 g/cm³
Appearance:	Solid
LogP:	1.54970

Publication Number	Title	Priority Date
KR-20200096455-A	Novel pyridine derivatives having inhibition activity against SHIP2 and pharmaceutical compositions with the components	20200803
CN-111116565-A	2-aryl-4- (4-pyrazolyloxy) pyridine compound, preparation method thereof, pharmaceutical composition and application thereof	20200401
CN-111116565-B	2-aryl-4- (4-pyrazolyloxy) pyridine compound, preparation method thereof, pharmaceutical composition and application thereof	20200401
WO-2021197276-A1	Amide compounds and uses thereof	20200330
US-2021078999-A1	Plasma kallikrein inhibitors and uses thereof	20190918

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GHS Hazard Statement:	H302 (50%): 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:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.94763
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.94763
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1