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6-Bromopyrido[2,3-d]pyrimidin-4(3H)-one

6-Bromopyrido[2,3-d]pyrimidin-4(3H)-one - CAS 155690-79-2

Catalog:	BB011141
Product Name:	6-Bromopyrido[2,3-d]pyrimidin-4(3H)-one
CAS:	155690-79-2
Synonyms:	6-bromo-3H-pyrido[2,3-d]pyrimidin-4-one; 6-bromo-3H-pyrido[2,3-d]pyrimidin-4-one

Technical Data

Patents

Computed Properties

IUPAC Name:	6-bromo-3H-pyrido[2,3-d]pyrimidin-4-one
Description:	6-Bromopyrido[2,3-d]pyrimidin-4(3H)-one (CAS# 155690-79-2) is a useful research chemical.
Molecular Weight:	226.03
Molecular Formula:	C7H4BrN3O
Canonical SMILES:	C1=C2C(=O)NC=NC2=NC=C1Br
InChI:	InChI=1S/C7H4BrN3O/c8-4-1-5-6(9-2-4)10-3-11-7(5)12/h1-3H,(H,9,10,11,12)
InChI Key:	CEIXKKYHWOYPLV-UHFFFAOYSA-N
Boiling Point:	396 °C at 760 mmHg
Density:	2.01 g/cm³
LogP:	1.08060

Publication Number	Title	Priority Date
WO-2021127071-A1	Bicyclic heterocycle compounds methods of use thereof for the treatment of herpes viruses	20191218
WO-2020239951-A1	Amino quinazoline derivatives as p2x3 inhibitors	20190531
WO-2020239952-A1	Amino quinazoline derivatives as p2x3 inhibitors	20190531
WO-2020239953-A1	Pyridopyrimidines derivatives as p2x3 inhibitors	20190531
EP-3719017-A2	Compound functioning as bromodomain protein inhibitor, and composition	20171220

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Complexity:	231
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.95377
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	224.95377
Rotatable Bond Count:	0
Topological Polar Surface Area:	54.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7