Home > Compound List > Compound details
676343-10-5 molecular structure
click picture or here to close

2-ethyl-6-ethynylpyridine

ChemBase ID: 799147
Molecular Formular: C9H9N
Molecular Mass: 131.17446
Monoisotopic Mass: 131.07349929
SMILES and InChIs

SMILES:
n1c(cccc1C#C)CC
Canonical SMILES:
CCc1cccc(n1)C#C
InChI:
InChI=1S/C9H9N/c1-3-8-6-5-7-9(4-2)10-8/h1,5-7H,4H2,2H3
InChIKey:
GEHRQMUFIUAODY-UHFFFAOYSA-N

Cite this record

CBID:799147 http://www.chembase.cn/molecule-799147.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethyl-6-ethynylpyridine
IUPAC Traditional name
2-ethyl-6-ethynylpyridine
Synonyms
2-ethyl-6-ethynylpyridine
CAS Number
676343-10-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13414 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13414 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) 2.1028874  LogD (pH = 7.4) 2.1238904 
Log P 2.124165  Molar Refractivity 37.9198 cm3
Polarizability 15.635141 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% 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