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215364-86-6 molecular structure
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3-bromo-2-methoxypyridin-4-amine

ChemBase ID: 45036
Molecular Formular: C6H7BrN2O
Molecular Mass: 203.03658
Monoisotopic Mass: 201.97417485
SMILES and InChIs

SMILES:
c1(c(nccc1N)OC)Br
Canonical SMILES:
COc1nccc(c1Br)N
InChI:
InChI=1S/C6H7BrN2O/c1-10-6-5(7)4(8)2-3-9-6/h2-3H,1H3,(H2,8,9)
InChIKey:
FJBMTFANAYFWPT-UHFFFAOYSA-N

Cite this record

CBID:45036 http://www.chembase.cn/molecule-45036.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-2-methoxypyridin-4-amine
IUPAC Traditional name
3-bromo-2-methoxypyridin-4-amine
Synonyms
3-Bromo-2-methoxy-4-pyridinamine
CAS Number
215364-86-6
MDL Number
MFCD11656225
PubChem SID
162049799
PubChem CID
45588365

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 45588365 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.93743134  LogD (pH = 7.4) 1.129045 
Log P 1.1321863  Molar Refractivity 43.001 cm3
Polarizability 16.041029 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
Oil expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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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