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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H3Cl2NO
Molecular Weight 176.0
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Chloronicotinyl chloride

SMILES

ClC(=O)C1=C(Cl)N=CC=C1

InChI

InChIKey=RXTRRIFWCJEMEL-UHFFFAOYSA-N
InChI=1S/C6H3Cl2NO/c7-5-4(6(8)10)2-1-3-9-5/h1-3H

HIDE SMILES / InChI

Molecular Formula C6H3Cl2NO
Molecular Weight 176.0
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 Wed Apr 02 17:27:08 GMT 2025
Edited
by admin
on Wed Apr 02 17:27:08 GMT 2025
Record UNII
R2GYX48BG7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Chloronicotinyl chloride
Systematic Name English
2-Chloro-3-pyridinecarbonyl chloride
Preferred Name English
3-Pyridinecarbonyl chloride, 2-chloro-
Systematic Name English
Code System Code Type Description
FDA UNII
R2GYX48BG7
Created by admin on Wed Apr 02 17:27:08 GMT 2025 , Edited by admin on Wed Apr 02 17:27:08 GMT 2025
PRIMARY
PUBCHEM
2774541
Created by admin on Wed Apr 02 17:27:08 GMT 2025 , Edited by admin on Wed Apr 02 17:27:08 GMT 2025
PRIMARY
CAS
49609-84-9
Created by admin on Wed Apr 02 17:27:08 GMT 2025 , Edited by admin on Wed Apr 02 17:27:08 GMT 2025
PRIMARY
EPA CompTox
DTXSID80379089
Created by admin on Wed Apr 02 17:27:08 GMT 2025 , Edited by admin on Wed Apr 02 17:27:08 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> IMPURITY