3,5-Dibromo-1-methylpyridin-2(1H)-one - CAS 14529-54-5

Name: 3,5-Dibromo-1-methylpyridin-2(1H)-one
Brand: BOC Sciences
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Catalog:	BB009920
Product Name:	3,5-Dibromo-1-methylpyridin-2(1H)-one
CAS:	14529-54-5
Synonyms:	3,5-dibromo-1-methyl-2-pyridinone; 3,5-dibromo-1-methylpyridin-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3,5-dibromo-1-methylpyridin-2-one
Description:	3,5-Dibromo-1-methylpyridin-2(1H)-one (CAS# 14529-54-5) is a useful research chemical.
Molecular Weight:	266.92
Molecular Formula:	C6H5Br2NO
Canonical SMILES:	CN1C=C(C=C(C1=O)Br)Br
InChI:	InChI=1S/C6H5Br2NO/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,1H3
InChI Key:	AOJAJTJZSBVNPU-UHFFFAOYSA-N
Boiling Point:	259.4 °C at 760 mmHg
Density:	2.13 g/cm³
MDL:	MFCD00464328
LogP:	1.91030

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Related Functional Groups

Pyridines

[1261365-99-4]C6H5Cl2NO2
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol
[4926-28-7]C6H6BrN
2-Bromo-4-methylpyridine
[267242-99-9]C9H10ClN
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
[63585-69-3]C6H7ClN2O2
2-Methyl-3-nitropyridine Hydrochloride
[19840-44-9]C6H3N2OBr
5-Bromo-1,6-dihydro-6-oxo-3-pyridinecarbonitrile
[884495-23-2]C6H5FIN
6-Fluoro-3-iodo-2-methylpyridine

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

Publication Number	Title	Priority Date
WO-2021164735-A1	Heteroaryl heterocyclic compounds and uses thereof	20200220
WO-2021091575-A1	Bifunctional compounds for degrading btk via ubiquitin proteosome pathway	20191108
WO-2021066958-A1	Inhibitor of btk and mutants thereof	20191005
AU-2017376580-A1	Process for preparing BTK inhibitors	20161215
AU-2020201260-A1	Process for preparing BTK inhibitors	20161215

Complexity:	232
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	266.87174
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	264.87379
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7