Home > Compound List > Compound details
87121-58-2 molecular structure
click picture or here to close

2-(ethylamino)pyridine-4-carbonitrile

ChemBase ID: 796929
Molecular Formular: C8H9N3
Molecular Mass: 147.17716
Monoisotopic Mass: 147.0796473
SMILES and InChIs

SMILES:
c1(cc(ncc1)NCC)C#N
Canonical SMILES:
CCNc1cc(ccn1)C#N
InChI:
InChI=1S/C8H9N3/c1-2-10-8-5-7(6-9)3-4-11-8/h3-5H,2H2,1H3,(H,10,11)
InChIKey:
QJJCFTFAVGJRPR-UHFFFAOYSA-N

Cite this record

CBID:796929 http://www.chembase.cn/molecule-796929.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(ethylamino)pyridine-4-carbonitrile
IUPAC Traditional name
2-(ethylamino)pyridine-4-carbonitrile
Synonyms
2-(EthylaMino)isonicotinonitrile
CAS Number
87121-58-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O4981 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O4981 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0354118  LogD (pH = 7.4) 1.0357094 
Log P 1.0357132  Molar Refractivity 44.8786 cm3
Polarizability 16.081245 Å3 Polar Surface Area 48.71 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle