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Details

Stereochemistry ACHIRAL
Molecular Formula C8H8N.Br
Molecular Weight 198.06
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-Propynyl)pyridinium bromide

SMILES

[Br-].C#CC[N+]1=CC=CC=C1

InChI

InChIKey=ASBBJVLVCDALAW-UHFFFAOYSA-M
InChI=1S/C8H8N.BrH/c1-2-6-9-7-4-3-5-8-9;/h1,3-5,7-8H,6H2;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C8H8N
Molecular Weight 118.1558
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula BrH
Molecular Weight 80.912
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 17:43:20 GMT 2025
Edited
by admin
on Tue Apr 01 17:43:20 GMT 2025
Record UNII
RQK9Q8BQ5E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(2-Propynyl)pyridinium bromide
Systematic Name English
Pyridinium, 1-(2-propyn-1-yl)-, bromide
Preferred Name English
Pyridinium, 1-(2-propyn-1-yl)-, bromide (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
RQK9Q8BQ5E
Created by admin on Tue Apr 01 17:43:20 GMT 2025 , Edited by admin on Tue Apr 01 17:43:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID00216326
Created by admin on Tue Apr 01 17:43:20 GMT 2025 , Edited by admin on Tue Apr 01 17:43:20 GMT 2025
PRIMARY
ECHA (EC/EINECS)
229-564-8
Created by admin on Tue Apr 01 17:43:20 GMT 2025 , Edited by admin on Tue Apr 01 17:43:20 GMT 2025
PRIMARY
CAS
6613-03-2
Created by admin on Tue Apr 01 17:43:20 GMT 2025 , Edited by admin on Tue Apr 01 17:43:20 GMT 2025
PRIMARY
PUBCHEM
16204927
Created by admin on Tue Apr 01 17:43:20 GMT 2025 , Edited by admin on Tue Apr 01 17:43:20 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE