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942206-33-9 molecular structure
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5-iodo-N,3-dimethylpyridin-2-amine

ChemBase ID: 296520
Molecular Formular: C7H9IN2
Molecular Mass: 248.06423
Monoisotopic Mass: 247.9810463
SMILES and InChIs

SMILES:
Cc1cc(cnc1NC)I
Canonical SMILES:
CNc1ncc(cc1C)I
InChI:
InChI=1S/C7H9IN2/c1-5-3-6(8)4-10-7(5)9-2/h3-4H,1-2H3,(H,9,10)
InChIKey:
ZHUKYUJCPFBDHP-UHFFFAOYSA-N

Cite this record

CBID:296520 http://www.chembase.cn/molecule-296520.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-iodo-N,3-dimethylpyridin-2-amine
IUPAC Traditional name
5-iodo-N,3-dimethylpyridin-2-amine
Synonyms
5-Iodo-N,3-dimethyl-2-pyridinamine
5-Iodo-3-methyl-2-methylaminopyridine
5-碘-3-甲基-2-甲基氨基吡啶
CAS Number
942206-33-9
MDL Number
MFCD09037456
PubChem SID
180682051
PubChem CID
37030063

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
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Data Source Data ID
PubChem 37030063 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0219245  LogD (pH = 7.4) 2.2609856 
Log P 2.2651749  Molar Refractivity 52.8121 cm3
Polarizability 19.361324 Å3 Polar Surface Area 24.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
70-73°C expand Show data source
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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