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884495-39-0 molecular structure
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5-bromo-2-methoxypyridin-3-amine

ChemBase ID: 45188
Molecular Formular: C6H7BrN2O
Molecular Mass: 203.03658
Monoisotopic Mass: 201.97417485
SMILES and InChIs

SMILES:
n1c(c(cc(c1)Br)N)OC
Canonical SMILES:
COc1ncc(cc1N)Br
InChI:
InChI=1S/C6H7BrN2O/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,8H2,1H3
InChIKey:
HJOOFLFWIISCAI-UHFFFAOYSA-N

Cite this record

CBID:45188 http://www.chembase.cn/molecule-45188.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-2-methoxypyridin-3-amine
IUPAC Traditional name
5-bromo-2-methoxypyridin-3-amine
Synonyms
5-Bromo-2-methoxypyridin-3-amine
5-Bromo-2-methoxypyridin-3-amine
3-Amino-5-bromopyridin-2-yl methyl ether
3-Amino-5-bromo-2-methoxypyridine
5-Bromo-2-methoxy-3-pyridinamine
5-Bromo-2-methoxypyridin-3-amine
3-Amino-5-bromo-2-methoxypyridine
3-胺基-5-溴-2-甲氧基吡啶
CAS Number
884495-39-0
MDL Number
MFCD07368887
PubChem SID
162049951
PubChem CID
44754869

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.13214  LogD (pH = 7.4) 1.1321857 
Log P 1.1321863  Molar Refractivity 43.001 cm3
Polarizability 16.034576 Å3 Polar Surface Area 48.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
57 - 58 °C expand Show data source
57-58°C expand Show data source
Hydrophobicity(logP)
2.096 expand Show data source
Storage Warning
Harmful/Irritant/Light Sensitive/Store under Argon expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
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-P501 expand Show data source
Purity
>95% expand Show data source
95% expand Show data source
95+% expand Show data source
96% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C6H7BrN2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000451 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

INTERNET

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