3-Bromo-5-chloro-2-hydroxypyridine - CAS 137628-16-1

Catalog:	BB008629
Product Name:	3-Bromo-5-chloro-2-hydroxypyridine
CAS:	137628-16-1
Synonyms:	3-bromo-5-chloro-1H-pyridin-2-one; 3-bromo-5-chloro-1H-pyridin-2-one

Technical Data

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Computed Properties

IUPAC Name:	3-bromo-5-chloro-1H-pyridin-2-one
Description:	3-Bromo-5-chloro-2-hydroxypyridine (CAS# 137628-16-1) is a useful research chemical.
Molecular Weight:	208.44
Molecular Formula:	C5H3BrClNO
Canonical SMILES:	C1=C(C(=O)NC=C1Cl)Br
InChI:	InChI=1S/C5H3BrClNO/c6-4-1-3(7)2-8-5(4)9/h1-2H,(H,8,9)
InChI Key:	IPCVJZRBMDESEV-UHFFFAOYSA-N
Boiling Point:	294.33 °C at 760 mmHg
Density:	1.908 g/cm³
Storage:	Inert atmosphere, Room Temperature
MDL:	MFCD01764522
LogP:	2.20310

Publication Number	Title	Priority Date
WO-2020210828-A1	(aza)indazolyl-aryl sulfonamide and related compounds and their use in treating medical conditions	20190412
KR-20200120475-A	Method of producing unsymmetrical disubstituted pyridine compounds	20190412
WO-2020086416-A1	FACTOR Xla INHIBITORS	20181025
EP-3870171-A1	Factor xla inhibitors	20181025
WO-2020028706-A1	Heterocyclic spiro compounds and methods of use thereof for the treatment of cancer	20180801

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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+P312, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.90865
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	206.90865
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5