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356561-08-5 molecular structure
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5-iodo-4-methylpyridin-2-amine

ChemBase ID: 16282
Molecular Formular: C6H7IN2
Molecular Mass: 234.03765
Monoisotopic Mass: 233.96539623
SMILES and InChIs

SMILES:
Nc1cc(c(cn1)I)C
Canonical SMILES:
Nc1ncc(c(c1)C)I
InChI:
InChI=1S/C6H7IN2/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3,(H2,8,9)
InChIKey:
HYRZCIXFHXERJT-UHFFFAOYSA-N

Cite this record

CBID:16282 http://www.chembase.cn/molecule-16282.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-iodo-4-methylpyridin-2-amine
IUPAC Traditional name
5-iodo-4-methylpyridin-2-amine
Synonyms
2-Amino-5-iodo-4-picoline
5-Iodo-4-methyl-2-pyridinamine
2-Amino-5-iodo-4-methylpyridine
5-Iodo-4-methyl-pyridin-2-ylamine
2-Amino-5-iodo-4-methylpyridine
5-Iodo-4-methyl-pyridin-2-ylamine
2-氨基-5-碘-4-甲基吡啶
CAS Number
356561-08-5
MDL Number
MFCD06637727
PubChem SID
160979589
PubChem CID
17750195

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3723001  LogD (pH = 7.4) 1.9462768 
Log P 1.9634708  Molar Refractivity 47.3187 cm3
Polarizability 17.563532 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
117.3-118.0°C expand Show data source
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
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
98% expand Show data source
Empirical Formula (Hill Notation)
C6H7IN2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000313 external link
Other Notes
Please note that Sigma-Aldrich does not collect analytical data for AldrichCPR products and that all sales are final.All AldrichCPR products, and other building blocks or screening compounds that are part of this collection, are also available as custom packaged libraries - for more details about this service or for further information on this product, please contact us at AldrichCPR@sial.com
Legal Information
Product of Adesis

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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