Home > Compound List > Compound details
100523-96-4 molecular structure
click picture or here to close

2-bromo-4-iodopyridine

ChemBase ID: 67872
Molecular Formular: C5H3BrIN
Molecular Mass: 283.89249
Monoisotopic Mass: 282.8493591
SMILES and InChIs

SMILES:
c1(cc(ccn1)I)Br
Canonical SMILES:
Ic1ccnc(c1)Br
InChI:
InChI=1S/C5H3BrIN/c6-5-3-4(7)1-2-8-5/h1-3H
InChIKey:
HPKRNLGLZYOVJS-UHFFFAOYSA-N

Cite this record

CBID:67872 http://www.chembase.cn/molecule-67872.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-4-iodopyridine
IUPAC Traditional name
2-bromo-4-iodopyridine
Synonyms
2-Bromo-4-iodopyridine
2-Bromo-4-iodopyridine
2-Bromo-4-iodo-pyridine
2-溴-4-碘吡啶
CAS Number
100523-96-4
EC Number
000-000-0
MDL Number
MFCD03085768
Beilstein Number
108925
PubChem SID
162033607
PubChem CID
1051520

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6587892  LogD (pH = 7.4) 2.6587925 
Log P 2.6587925  Molar Refractivity 45.7286 cm3
Polarizability 17.862892 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
61°C expand Show data source
61°C expand Show data source
Partition Coefficient
3.104 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant/Light Sensitive expand Show data source
Light Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95+% expand Show data source
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