Home > Compound List > Compound details
445468-63-3 molecular structure
click picture or here to close

2-bromo-6-ethynylpyridine

ChemBase ID: 798851
Molecular Formular: C7H4BrN
Molecular Mass: 182.01736
Monoisotopic Mass: 180.95271113
SMILES and InChIs

SMILES:
n1c(cccc1C#C)Br
Canonical SMILES:
C#Cc1cccc(n1)Br
InChI:
InChI=1S/C7H4BrN/c1-2-6-4-3-5-7(8)9-6/h1,3-5H
InChIKey:
UFUJEEUTQKDBAA-UHFFFAOYSA-N

Cite this record

CBID:798851 http://www.chembase.cn/molecule-798851.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-6-ethynylpyridine
IUPAC Traditional name
2-bromo-6-ethynylpyridine
Synonyms
2-bromo-6-ethynylpyridine
CAS Number
445468-63-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2665324  LogD (pH = 7.4) 2.2665336 
Log P 2.2665336  Molar Refractivity 37.1664 cm3
Polarizability 14.876878 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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