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1000342-88-0 molecular structure
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3,5-diiodo-6-methylpyridin-2-amine

ChemBase ID: 297056
Molecular Formular: C6H6I2N2
Molecular Mass: 359.93418
Monoisotopic Mass: 359.8620442
SMILES and InChIs

SMILES:
Cc1c(cc(c(n1)N)I)I
Canonical SMILES:
Ic1cc(I)c(nc1C)N
InChI:
InChI=1S/C6H6I2N2/c1-3-4(7)2-5(8)6(9)10-3/h2H,1H3,(H2,9,10)
InChIKey:
BSXUGYBTSPNQDE-UHFFFAOYSA-N

Cite this record

CBID:297056 http://www.chembase.cn/molecule-297056.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,5-diiodo-6-methylpyridin-2-amine
IUPAC Traditional name
3,5-diiodo-6-methylpyridin-2-amine
Synonyms
2-Amino-3,5-diiodo-6-methylpyridine
2-氨基-3,5-二碘-6-甲基吡啶
CAS Number
1000342-88-0
MDL Number
MFCD09880040
PubChem SID
180682587
PubChem CID
24729486

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
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Data Source Data ID
PubChem 24729486 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.478429  LogD (pH = 7.4) 2.5099468 
Log P 2.510364  Molar Refractivity 60.2315 cm3
Polarizability 23.09947 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
Light Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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