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354548-08-6 molecular structure
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methyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate

ChemBase ID: 64472
Molecular Formular: C9H7BrN2O2
Molecular Mass: 255.06808
Monoisotopic Mass: 253.96908947
SMILES and InChIs

SMILES:
c1(nc2n(c1)cc(cc2)Br)C(=O)OC
Canonical SMILES:
COC(=O)c1cn2c(n1)ccc(c2)Br
InChI:
InChI=1S/C9H7BrN2O2/c1-14-9(13)7-5-12-4-6(10)2-3-8(12)11-7/h2-5H,1H3
InChIKey:
DCQQILZPUHSRGM-UHFFFAOYSA-N

Cite this record

CBID:64472 http://www.chembase.cn/molecule-64472.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate
IUPAC Traditional name
methyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate
Synonyms
6-Bromoimidazo[1,2-a]pyridine-2-carboxylic acid methyl ester
methyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate
CAS Number
354548-08-6
MDL Number
MFCD01648244
PubChem SID
162030211
PubChem CID
16210769

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16210769 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7064772  LogD (pH = 7.4) 1.7174871 
Log P 1.7176293  Molar Refractivity 55.2125 cm3
Polarizability 20.673931 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
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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