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42409-58-5 molecular structure
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5-bromo-3-methoxypyridin-2-amine

ChemBase ID: 32448
Molecular Formular: C6H7BrN2O
Molecular Mass: 203.03658
Monoisotopic Mass: 201.97417485
SMILES and InChIs

SMILES:
c1(cnc(c(c1)OC)N)Br
Canonical SMILES:
COc1cc(Br)cnc1N
InChI:
InChI=1S/C6H7BrN2O/c1-10-5-2-4(7)3-9-6(5)8/h2-3H,1H3,(H2,8,9)
InChIKey:
NFBIWMFMHLPVLT-UHFFFAOYSA-N

Cite this record

CBID:32448 http://www.chembase.cn/molecule-32448.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-3-methoxypyridin-2-amine
IUPAC Traditional name
5-bromo-3-methoxypyridin-2-amine
Synonyms
5-Bromo-3-methoxypyridin-2-amine
5-Bromo-3-methoxypyridin-2-amine
2-Amino-5-bromo-3-methoxypyridine
2-氨基-5-溴-3-甲氧基吡啶
CAS Number
42409-58-5
MDL Number
MFCD09909849
PubChem SID
160995755
PubChem CID
22271407

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.067845  LogD (pH = 7.4) 1.1313095 
Log P 1.1321863  Molar Refractivity 43.001 cm3
Polarizability 16.031878 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
78-82°C expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 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-P501A expand Show data source
Purity
96% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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