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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H8N2O3
Molecular Weight 168.15
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Nitro-2,6-lutidine-1-oxide

SMILES

CC1=CC(=CC(C)=[N+]1[O-])[N+]([O-])=O

InChI

InChIKey=LFPUGENPUAERSG-UHFFFAOYSA-N
InChI=1S/C7H8N2O3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4H,1-2H3

HIDE SMILES / InChI

Molecular Formula C7H8N2O3
Molecular Weight 168.15
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:11:15 GMT 2025
Edited
by admin
on Tue Apr 01 20:11:15 GMT 2025
Record UNII
25F79GKV74
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-5094
Preferred Name English
4-Nitro-2,6-lutidine-1-oxide
Common Name English
Pyridine, 2,6-dimethyl-4-nitro-, 1-oxide
Systematic Name English
2,6-Dimethyl-4-nitropyridine-1-oxide
Common Name English
2,6-Lutidine, 4-nitro-, 1-oxide
Systematic Name English
2,6-Dimethyl-4-nitro-1-oxidopyridin-1-ium
Systematic Name English
Code System Code Type Description
CAS
4808-64-4
Created by admin on Tue Apr 01 20:11:15 GMT 2025 , Edited by admin on Tue Apr 01 20:11:15 GMT 2025
PRIMARY
FDA UNII
25F79GKV74
Created by admin on Tue Apr 01 20:11:15 GMT 2025 , Edited by admin on Tue Apr 01 20:11:15 GMT 2025
PRIMARY
NSC
5094
Created by admin on Tue Apr 01 20:11:15 GMT 2025 , Edited by admin on Tue Apr 01 20:11:15 GMT 2025
PRIMARY
PUBCHEM
20945
Created by admin on Tue Apr 01 20:11:15 GMT 2025 , Edited by admin on Tue Apr 01 20:11:15 GMT 2025
PRIMARY
EPA CompTox
DTXSID70197411
Created by admin on Tue Apr 01 20:11:15 GMT 2025 , Edited by admin on Tue Apr 01 20:11:15 GMT 2025
PRIMARY