Methyl 2-[(5-Bromo-2-pyridyl)oxy]acetate - CAS 845890-35-9

Catalog:	BB037258
Product Name:	Methyl 2-[(5-Bromo-2-pyridyl)oxy]acetate
CAS:	845890-35-9
Synonyms:	2-[(5-bromo-2-pyridinyl)oxy]acetic acid methyl ester; methyl 2-(5-bromopyridin-2-yl)oxyacetate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-(5-bromopyridin-2-yl)oxyacetate
Description:	Methyl 2-[(5-Bromo-2-pyridyl)oxy]acetate (CAS# 845890-35-9 ) is a useful research chemical.
Molecular Weight:	246.06
Molecular Formula:	C8H8BrNO3
Canonical SMILES:	COC(=O)COC1=NC=C(C=C1)Br
InChI:	InChI=1S/C8H8BrNO3/c1-12-8(11)5-13-7-3-2-6(9)4-10-7/h2-4H,5H2,1H3
InChI Key:	LRXINRZZHRWYRF-UHFFFAOYSA-N
LogP:	1.39590

Publication Number	Title	Priority Date
TW-202016109-A	Pyrrolo[2,3-B]pyridine or pyrrolo[2,3-B]pyrazine as an HPK1 inhibitor and uses thereof	20180613
BR-102018007822-A2	compound, methods for inhibiting pd-1, pd-11 and / or interaction of pd-1 / pd-11 and for cancer treatment, pharmaceutical composition, and kit for treating or preventing cancer or a disease or condition	20170420
EP-1833816-A1	Substituted piperidines as renin inhibitors	20041230
EP-1833816-B1	Substituted piperidines as renin inhibitors	20041230
EP-2177518-A1	Organic compounds	20041230

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Complexity:	177
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	244.96876
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	244.96876
Rotatable Bond Count:	4
Topological Polar Surface Area:	48.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8