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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H6BrNO
Molecular Weight 224.054
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Bromoindole-3-carbaldehyde

SMILES

BrC1=CC=C2NC=C(C=O)C2=C1

InChI

InChIKey=PEENKJZANBYXNB-UHFFFAOYSA-N
InChI=1S/C9H6BrNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-5,11H

HIDE SMILES / InChI

Molecular Formula C9H6BrNO
Molecular Weight 224.054
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 17:39:15 GMT 2025
Edited
by admin
on Tue Apr 01 17:39:15 GMT 2025
Record UNII
8JS5DEX3ZE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-66831
Preferred Name English
5-Bromoindole-3-carbaldehyde
Systematic Name English
1H-Indole-3-carboxaldehyde, 5-bromo-
Systematic Name English
5-Bromo-1H-indole-3-carboxaldehyde
Systematic Name English
5-Bromoindole-3-carboxaldehyde
Systematic Name English
Code System Code Type Description
NSC
66831
Created by admin on Tue Apr 01 17:39:15 GMT 2025 , Edited by admin on Tue Apr 01 17:39:15 GMT 2025
PRIMARY
ECHA (EC/EINECS)
212-884-7
Created by admin on Tue Apr 01 17:39:15 GMT 2025 , Edited by admin on Tue Apr 01 17:39:15 GMT 2025
PRIMARY
FDA UNII
8JS5DEX3ZE
Created by admin on Tue Apr 01 17:39:15 GMT 2025 , Edited by admin on Tue Apr 01 17:39:15 GMT 2025
PRIMARY
PUBCHEM
70137
Created by admin on Tue Apr 01 17:39:15 GMT 2025 , Edited by admin on Tue Apr 01 17:39:15 GMT 2025
PRIMARY
EPA CompTox
DTXSID80236562
Created by admin on Tue Apr 01 17:39:15 GMT 2025 , Edited by admin on Tue Apr 01 17:39:15 GMT 2025
PRIMARY
CAS
877-03-2
Created by admin on Tue Apr 01 17:39:15 GMT 2025 , Edited by admin on Tue Apr 01 17:39:15 GMT 2025
PRIMARY