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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H8N2
Molecular Weight 132.1625
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ETHYLISONICOTINONITRILE

SMILES

CCC1=NC=CC(=C1)C#N

InChI

InChIKey=WERAOGVQORFBMU-UHFFFAOYSA-N
InChI=1S/C8H8N2/c1-2-8-5-7(6-9)3-4-10-8/h3-5H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula C8H8N2
Molecular Weight 132.1625
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 12:21:34 GMT 2023
Edited
by admin
on Sat Dec 16 12:21:34 GMT 2023
Record UNII
BBA424N182
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ETHYLISONICOTINONITRILE
Systematic Name English
2-ETHYLPYRIDINE-4-CARBONITRILE
Systematic Name English
ETHIONAMIDE IMPURITY D [EP IMPURITY]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID90165218
Created by admin on Sat Dec 16 12:21:34 GMT 2023 , Edited by admin on Sat Dec 16 12:21:34 GMT 2023
PRIMARY
CAS
1531-18-6
Created by admin on Sat Dec 16 12:21:34 GMT 2023 , Edited by admin on Sat Dec 16 12:21:34 GMT 2023
PRIMARY
PUBCHEM
73739
Created by admin on Sat Dec 16 12:21:34 GMT 2023 , Edited by admin on Sat Dec 16 12:21:34 GMT 2023
PRIMARY
FDA UNII
BBA424N182
Created by admin on Sat Dec 16 12:21:34 GMT 2023 , Edited by admin on Sat Dec 16 12:21:34 GMT 2023
PRIMARY
ECHA (EC/EINECS)
216-238-5
Created by admin on Sat Dec 16 12:21:34 GMT 2023 , Edited by admin on Sat Dec 16 12:21:34 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY