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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H4ClNO2.ClH
Molecular Weight 194.015
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Chloronicotinic acid hydrochloride

SMILES

Cl.OC(=O)C1=C(Cl)C=CN=C1

InChI

InChIKey=FOZKIVKCLCCSBO-UHFFFAOYSA-N
InChI=1S/C6H4ClNO2.ClH/c7-5-1-2-8-3-4(5)6(9)10;/h1-3H,(H,9,10);1H

HIDE SMILES / InChI

Molecular Formula C6H4ClNO2
Molecular Weight 157.554
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
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 Sat Dec 16 20:07:32 GMT 2023
Edited
by admin
on Sat Dec 16 20:07:32 GMT 2023
Record UNII
BG35PA7T42
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Chloronicotinic acid hydrochloride
Systematic Name English
3-Pyridinecarboxylic acid, 4-chloro-, hydrochloride
Systematic Name English
3-Pyridinecarboxylic acid, 4-chloro-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
BG35PA7T42
Created by admin on Sat Dec 16 20:07:32 GMT 2023 , Edited by admin on Sat Dec 16 20:07:32 GMT 2023
PRIMARY
CAS
100191-53-5
Created by admin on Sat Dec 16 20:07:32 GMT 2023 , Edited by admin on Sat Dec 16 20:07:32 GMT 2023
PRIMARY
PUBCHEM
67220186
Created by admin on Sat Dec 16 20:07:32 GMT 2023 , Edited by admin on Sat Dec 16 20:07:32 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE