U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C7H9NO2
Molecular Weight 139.1519
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(1-Hydroxyethyl)pyridine 1-oxide, (S)-

SMILES

C[C@H](O)C1=C[N+]([O-])=CC=C1

InChI

InChIKey=BKEWBKVKOXHXOQ-LURJTMIESA-N
InChI=1S/C7H9NO2/c1-6(9)7-3-2-4-8(10)5-7/h2-6,9H,1H3/t6-/m0/s1

HIDE SMILES / InChI

Molecular Formula C7H9NO2
Molecular Weight 139.1519
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:16:41 GMT 2025
Edited
by admin
on Wed Apr 02 19:16:41 GMT 2025
Record UNII
UKY47239ST
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(1-Hydroxyethyl)pyridine 1-oxide, (S)-
Systematic Name English
(S)-3-(1-Hydroxyethyl)pyridine 1-oxide
Preferred Name English
3-Pyridinemethanol, ?-methyl-, 1-oxide, (S)-
Systematic Name English
3-[(1S)-1-Hydroxyethyl]pyridin-1-ium-1-olate
Systematic Name English
Code System Code Type Description
FDA UNII
UKY47239ST
Created by admin on Wed Apr 02 19:16:41 GMT 2025 , Edited by admin on Wed Apr 02 19:16:41 GMT 2025
PRIMARY
CAS
129547-86-0
Created by admin on Wed Apr 02 19:16:41 GMT 2025 , Edited by admin on Wed Apr 02 19:16:41 GMT 2025
PRIMARY
PUBCHEM
820550
Created by admin on Wed Apr 02 19:16:41 GMT 2025 , Edited by admin on Wed Apr 02 19:16:41 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER