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1234616-08-0 molecular structure
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methyl 8-bromoimidazo[1,2-a]pyridine-6-carboxylate

ChemBase ID: 63445
Molecular Formular: C9H7BrN2O2
Molecular Mass: 255.06808
Monoisotopic Mass: 253.96908947
SMILES and InChIs

SMILES:
COC(=O)c1cn2ccnc2c(Br)c1
Canonical SMILES:
COC(=O)c1cc(Br)c2n(c1)ccn2
InChI:
InChI=1S/C9H7BrN2O2/c1-14-9(13)6-4-7(10)8-11-2-3-12(8)5-6/h2-5H,1H3
InChIKey:
VTHOGJZDIFHAIX-UHFFFAOYSA-N

Cite this record

CBID:63445 http://www.chembase.cn/molecule-63445.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 8-bromoimidazo[1,2-a]pyridine-6-carboxylate
IUPAC Traditional name
methyl 8-bromoimidazo[1,2-a]pyridine-6-carboxylate
Synonyms
Methyl 8-bromo-imidazo[1,2-a]pyridine-6-carboxylate
CAS Number
1234616-08-0
MDL Number
MFCD17016026
PubChem SID
162029184
PubChem CID
57415881

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
068763 external link Add to cart Please log in.
Data Source Data ID
PubChem 57415881 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3756382  LogD (pH = 7.4) 1.5293236 
Log P 1.531779  Molar Refractivity 55.5845 cm3
Polarizability 20.67453 Å3 Polar Surface Area 43.6 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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