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1159811-97-8 molecular structure
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6-bromo-2-methylimidazo[1,2-a]pyrazine

ChemBase ID: 67830
Molecular Formular: C7H6BrN3
Molecular Mass: 212.04664
Monoisotopic Mass: 210.97450921
SMILES and InChIs

SMILES:
c12cnc(cn1cc(n2)C)Br
Canonical SMILES:
Brc1ncc2n(c1)cc(n2)C
InChI:
InChI=1S/C7H6BrN3/c1-5-3-11-4-6(8)9-2-7(11)10-5/h2-4H,1H3
InChIKey:
XAGXDXBNVFYZNV-UHFFFAOYSA-N

Cite this record

CBID:67830 http://www.chembase.cn/molecule-67830.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-2-methylimidazo[1,2-a]pyrazine
IUPAC Traditional name
6-bromo-2-methylimidazo[1,2-a]pyrazine
Synonyms
6-Bromo-2-methylimidazo[1,2-a]pyrazine
CAS Number
1159811-97-8
MDL Number
MFCD12400904
PubChem SID
162033565
PubChem CID
45789821

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 45789821 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.6442745  LogD (pH = 7.4) 0.6474808 
Log P 0.6475218  Molar Refractivity 46.836 cm3
Polarizability 17.119154 Å3 Polar Surface Area 30.19 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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