Home > Compound List > Compound details
65550-82-5 molecular structure
click picture or here to close

2-bromo-3-iodo-5-methylpyridine

ChemBase ID: 71273
Molecular Formular: C6H5BrIN
Molecular Mass: 297.91907
Monoisotopic Mass: 296.86500917
SMILES and InChIs

SMILES:
n1c(c(cc(c1)C)I)Br
Canonical SMILES:
Cc1cnc(c(c1)I)Br
InChI:
InChI=1S/C6H5BrIN/c1-4-2-5(8)6(7)9-3-4/h2-3H,1H3
InChIKey:
JRDURDSKNUSNRW-UHFFFAOYSA-N

Cite this record

CBID:71273 http://www.chembase.cn/molecule-71273.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-3-iodo-5-methylpyridine
IUPAC Traditional name
2-bromo-3-iodo-5-methylpyridine
Synonyms
2-Bromo-3-iodo-5-methylpyridine
6-Bromo-5-iodo-3-picoline
2-Bromo-3-iodo-5-methylpyridine
2-溴-3-碘-5-甲基吡啶
CAS Number
65550-82-5
MDL Number
MFCD09037463
PubChem SID
162036863
PubChem CID
42553025

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.172211  LogD (pH = 7.4) 3.1722138 
Log P 3.1722138  Molar Refractivity 50.7698 cm3
Polarizability 19.57214 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
84-86°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Light Sensitive expand Show data source
European Hazard Symbols
X expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Purity
95% expand Show data source
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