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91775-62-1 molecular structure
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3-bromo-8-methoxyimidazo[1,2-a]pyrazine

ChemBase ID: 67618
Molecular Formular: C7H6BrN3O
Molecular Mass: 228.04604
Monoisotopic Mass: 226.96942383
SMILES and InChIs

SMILES:
c12c(nccn1c(cn2)Br)OC
Canonical SMILES:
COc1nccn2c1ncc2Br
InChI:
InChI=1S/C7H6BrN3O/c1-12-7-6-10-4-5(8)11(6)3-2-9-7/h2-4H,1H3
InChIKey:
QPEGJUSNDDPOHD-UHFFFAOYSA-N

Cite this record

CBID:67618 http://www.chembase.cn/molecule-67618.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-8-methoxyimidazo[1,2-a]pyrazine
IUPAC Traditional name
3-bromo-8-methoxyimidazo[1,2-a]pyrazine
Synonyms
3-Bromo-8-methoxyimidazo[1,2-a]pyrazine
CAS Number
91775-62-1
MDL Number
MFCD09835035
PubChem SID
162033353
PubChem CID
15025841

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15025841 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.4477114  LogD (pH = 7.4) 0.44777063 
Log P 0.44777137  Molar Refractivity 47.961 cm3
Polarizability 17.949654 Å3 Polar Surface Area 39.42 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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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