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 |
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 |
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 |
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