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885952-12-5 molecular structure
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5-iodo-4,6-dimethylpyridin-2-amine

ChemBase ID: 71248
Molecular Formular: C7H9IN2
Molecular Mass: 248.06423
Monoisotopic Mass: 247.9810463
SMILES and InChIs

SMILES:
n1c(c(c(cc1N)C)I)C
Canonical SMILES:
Nc1cc(C)c(c(n1)C)I
InChI:
InChI=1S/C7H9IN2/c1-4-3-6(9)10-5(2)7(4)8/h3H,1-2H3,(H2,9,10)
InChIKey:
KJDKMUXRVKLPJF-UHFFFAOYSA-N

Cite this record

CBID:71248 http://www.chembase.cn/molecule-71248.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-iodo-4,6-dimethylpyridin-2-amine
IUPAC Traditional name
5-iodo-4,6-dimethylpyridin-2-amine
Synonyms
2-Amino-5-iodo-4,6-dimethylpyridine
4,6-Dimethyl-5-iodo-2-pyridinamine
6-Amino-2,4-dimethyl-3-iodopyridine
6-氨基-2,4-二甲基-3-碘吡啶
CAS Number
885952-12-5
MDL Number
MFCD06798226
PubChem SID
162036838
PubChem CID
42553010

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 42553010 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7750187  LogD (pH = 7.4) 1.9740211 
Log P 2.094841  Molar Refractivity 51.9102 cm3
Polarizability 19.295155 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
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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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