3,5-Dibromo-2-hydroxypyridine - CAS 13472-81-6

Catalog:	BB008001
Product Name:	3,5-Dibromo-2-hydroxypyridine
CAS:	13472-81-6
Synonyms:	3,5-dibromo-1H-pyridin-2-one; 3,5-dibromo-1H-pyridin-2-one

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Computed Properties

IUPAC Name:	3,5-dibromo-1H-pyridin-2-one
Description:	3,5-Dibromo-2-hydroxypyridine (CAS# 13472-81-6) is a useful research chemical.
Molecular Weight:	252.89
Molecular Formula:	C5H3Br2NO
Canonical SMILES:	C1=C(C(=O)NC=C1Br)Br
InChI:	InChI=1S/C5H3Br2NO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)
InChI Key:	XIFRODWVHSZAMM-UHFFFAOYSA-N
Boiling Point:	290.4 °C at 760 mmHg
Density:	2.293 g/cm³
Storage:	Inert atmosphere, Room Temperature
MDL:	MFCD00023472
LogP:	2.31220

Publication Number	Title	Priority Date
KR-20200121536-A	Method of producing unsymmetrical disubstituted pyridone compounds using regioselective suzuki coupling reaction	20190416
AU-2017376580-A1	Process for preparing BTK inhibitors	20161215
AU-2020201260-A1	Process for preparing BTK inhibitors	20161215
AU-2020201261-A1	Process for preparing BTK inhibitors	20161215
BR-112019011247-A2	process for the preparation of btk inhibitors	20161215

PMID	Publication Date	Title	Journal
21524121	20110617	A general copper powder-catalyzed Ullmann-type reaction of 3-halo-4(1H)-quinolones with various nitrogen-containing nucleophiles	The Journal of organic chemistry

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Related Functional Groups

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GHS Hazard Statement:	H301 (88.37%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.85609
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	250.85814
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5