2-(Hydroxymethyl)-5-[(4-methoxybenzyl)oxy]pyridin-4(1H)-one - CAS 118679-90-6
Catalog: |
BB004231 |
Product Name: |
2-(Hydroxymethyl)-5-[(4-methoxybenzyl)oxy]pyridin-4(1H)-one |
CAS: |
118679-90-6 |
Synonyms: |
2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]-1H-pyridin-4-one; 2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]-1H-pyridin-4-one |
IUPAC Name: | 2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]-1H-pyridin-4-one |
Description: | 2-(Hydroxymethyl)-5-[(4-methoxybenzyl)oxy]pyridin-4(1H)-one (CAS# 118679-90-6 ) is a useful research chemical. |
Molecular Weight: | 261.27 |
Molecular Formula: | C14H15NO4 |
Canonical SMILES: | COC1=CC=C(C=C1)COC2=CNC(=CC2=O)CO |
InChI: | InChI=1S/C14H15NO4/c1-18-12-4-2-10(3-5-12)9-19-14-7-15-11(8-16)6-13(14)17/h2-7,16H,8-9H2,1H3,(H,15,17) |
InChI Key: | GMSCKKIRAYIIAL-UHFFFAOYSA-N |
LogP: | 1.45480 |
Publication Number | Title | Priority Date |
AU-2013245399-A1 | Heterobicyclic compounds as beta-lactamase inhibitors | 20120402 |
AU-2013245399-B2 | Heterobicyclic compounds as beta-lactamase inhibitors | 20120402 |
CA-2866467-A1 | Heterobicyclic compounds as beta-lactamase inhibitors | 20120402 |
CA-2866467-C | Heterobicyclic compounds as beta-lactamase inhibitors | 20120402 |
DK-2834239-T3 | Heterobicyclic compounds as beta-lactamase inhibitors | 20120402 |
Complexity: | 381 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.10010796 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.10010796 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 67.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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