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166266-19-9 molecular structure
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5-iodo-3-methylpyridin-2-amine

ChemBase ID: 16289
Molecular Formular: C6H7IN2
Molecular Mass: 234.03765
Monoisotopic Mass: 233.96539623
SMILES and InChIs

SMILES:
n1c(c(cc(c1)I)C)N
Canonical SMILES:
Ic1cnc(c(c1)C)N
InChI:
InChI=1S/C6H7IN2/c1-4-2-5(7)3-9-6(4)8/h2-3H,1H3,(H2,8,9)
InChIKey:
WTHKBDPHSGITFJ-UHFFFAOYSA-N

Cite this record

CBID:16289 http://www.chembase.cn/molecule-16289.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-iodo-3-methylpyridin-2-amine
IUPAC Traditional name
5-iodo-3-methylpyridin-2-amine
Synonyms
5-Iodo-3-methyl-pyridin-2-ylamine
5-Iodo-3-methyl-2-pyridinamine
2-Amino-5-iodo-3-methylpyridine
5-iodo-3-methylpyridin-2-amine
2-AMINO-5-IODO-3-PICOLINE
5-Iodo-3-methyl-2-pyridinamine
5-Iodo-3-methylpyridin-2-amine
2-Amino-5-iodo-3-picoline
2-Amino-5-iodo-3-methylpyridine
5-Iodo-3-methyl-pyridin-2-ylamine
2-氨基-5-碘-3-甲基吡啶
CAS Number
166266-19-9
MDL Number
MFCD02102422
PubChem SID
160979596
PubChem CID
959586

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6488074  LogD (pH = 7.4) 1.9574846 
Log P 1.9634708  Molar Refractivity 47.3187 cm3
Polarizability 17.563574 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
102 - 104 °C expand Show data source
110.2-110.5°C expand Show data source
Hydrophobicity(logP)
2.013 expand Show data source
Storage Warning
IRRITANT expand Show data source
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
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
95% expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C6H7IN2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000317 external link
Other Notes
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Legal Information
Product of Adesis

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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