5-Chloro-1H-imidazo[4,5-b]pyridin-2(3H)-one - CAS 40851-98-7

Catalog:	BB024694
Product Name:	5-Chloro-1H-imidazo[4,5-b]pyridin-2(3H)-one
CAS:	40851-98-7
Synonyms:	5-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one; 5-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one

Technical Data

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Computed Properties

IUPAC Name:	5-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one
Description:	5-Chloro-1H-imidazo[4,5-b]pyridin-2(3H)-one (CAS# 40851-98-7 ) is a useful research chemical.
Molecular Weight:	169.57
Molecular Formula:	C6H4ClN3O
Canonical SMILES:	C1=CC(=NC2=C1NC(=O)N2)Cl
InChI:	InChI=1S/C6H4ClN3O/c7-4-2-1-3-5(9-4)10-6(11)8-3/h1-2H,(H2,8,9,10,11)
InChI Key:	XJFIKRXIJXAJGH-UHFFFAOYSA-N
Boiling Point:	184.5 °C at 760 mmHg
Density:	1.51 g/cm³
MDL:	MFCD06659688
LogP:	0.90460

Publication Number	Title	Priority Date
WO-2011156245-A2	Positive allosteric modulators of mglur2	20100609
US-2009253737-A1	Certain chemical entities, compositions, and methods	20080204
US-2011312975-A1	Certain chemical entities, compositions and methods	20080204
US-7989469-B2	Certain chemical entities, compositions, and methods	20080204
EP-2139478-A1	Certain chemical entities, compositions and methods	20070330

PMID	Publication Date	Title	Journal
21561794	20110701	Interactions of human organic anion transporter 1 (hOAT1) with substances associated with forensic toxicology	Legal medicine (Tokyo, Japan)
21315612	20110615	Synthesis and biological activity of splitomicin analogs targeted at human NAD(+)-dependent histone deacetylases (sirtuins)	Bioorganic & medicinal chemistry
17474521	20070301	Determination of pesticide residues in foods by acetonitrile extraction and partitioning with magnesium sulfate: collaborative study	Journal of AOAC International
14994824	20030401	Synergized bifenthrin plus chlorpyrifos-methyl for control of beetles and psocids in sorghum in Australia	Journal of economic entomology
10953051	20000901	Identification of acylpeptide hydrolase as a sensitive site for reaction with organophosphorus compounds and a potential target for cognitive enhancing drugs	Molecular pharmacology

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Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.0042895
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	169.0042895
Rotatable Bond Count:	0
Topological Polar Surface Area:	54
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8