Home > Compound List > Compound details
23597-15-1 molecular structure
click picture or here to close

3,5-diiodopyridin-2-amine

ChemBase ID: 65645
Molecular Formular: C5H4I2N2
Molecular Mass: 345.9076
Monoisotopic Mass: 345.84639414
SMILES and InChIs

SMILES:
c1(cnc(c(c1)I)N)I
Canonical SMILES:
Ic1cnc(c(c1)I)N
InChI:
InChI=1S/C5H4I2N2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)
InChIKey:
QLJWHQFRDOOATP-UHFFFAOYSA-N

Cite this record

CBID:65645 http://www.chembase.cn/molecule-65645.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,5-diiodopyridin-2-amine
IUPAC Traditional name
3,5-diiodopyridin-2-amine
Synonyms
3,5-Diiodo-pyridin-2-ylamine
3,5-Diiodo-2-pyridinamine
2-Amino-3,5-diiodopyridine
2-氨基-3,5-二碘吡啶
CAS Number
23597-15-1
MDL Number
MFCD02663852
PubChem SID
162031384
PubChem CID
350960

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3745508  LogD (pH = 7.4) 2.3789377 
Log P 2.378994  Molar Refractivity 55.64 cm3
Polarizability 21.402746 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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
false expand Show data source
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