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8-(5-Bromo-2-pyridyl)-8-hydroxy-1,4-dioxaspiro[4.5]decane

8-(5-Bromo-2-pyridyl)-8-hydroxy-1,4-dioxaspiro[4.5]decane - CAS 708274-37-7

Catalog:	BB034250
Product Name:	8-(5-Bromo-2-pyridyl)-8-hydroxy-1,4-dioxaspiro[4.5]decane
CAS:	708274-37-7
Synonyms:	8-(5-bromo-2-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-ol; 8-(5-bromopyridin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol

Technical Data

Patents

Computed Properties

IUPAC Name:	8-(5-bromopyridin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
Description:	8-(5-Bromo-2-pyridyl)-8-hydroxy-1,4-dioxaspiro[4.5]decane (CAS# 708274-37-7 ) is a useful research chemical.
Molecular Weight:	314.18
Molecular Formula:	C13H16BrNO3
Canonical SMILES:	C1CC2(CCC1(C3=NC=C(C=C3)Br)O)OCCO2
InChI:	InChI=1S/C13H16BrNO3/c14-10-1-2-11(15-9-10)12(16)3-5-13(6-4-12)17-7-8-18-13/h1-2,9,16H,3-8H2
InChI Key:	LMXWFQPXVACYFQ-UHFFFAOYSA-N
LogP:	2.34880

Publication Number	Title	Priority Date
JP-2013234180-A	Pharmaceutical use of amide derivatives	20120413
JP-5925723-B2	Pharmaceutical use of amide derivatives	20120413
WO-2012114223-A1	A method of treating liver fibrosis	20110225
EP-2657230-A1	Amide derivative and use thereof	20101014
JP-5925688-B2	Amide derivatives and uses thereof	20101014

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Complexity:	297
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	313.03136
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	313.03136
Rotatable Bond Count:	1
Topological Polar Surface Area:	51.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2