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907945-87-3 molecular structure
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ethyl 6-bromo-7-methylimidazo[1,2-a]pyridine-2-carboxylate

ChemBase ID: 75442
Molecular Formular: C11H11BrN2O2
Molecular Mass: 283.12124
Monoisotopic Mass: 282.0003896
SMILES and InChIs

SMILES:
n1c2n(cc1C(=O)OCC)cc(c(c2)C)Br
Canonical SMILES:
CCOC(=O)c1cn2c(n1)cc(c(c2)Br)C
InChI:
InChI=1S/C11H11BrN2O2/c1-3-16-11(15)9-6-14-5-8(12)7(2)4-10(14)13-9/h4-6H,3H2,1-2H3
InChIKey:
KFYZFJNFCVMAEH-UHFFFAOYSA-N

Cite this record

CBID:75442 http://www.chembase.cn/molecule-75442.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 6-bromo-7-methylimidazo[1,2-a]pyridine-2-carboxylate
IUPAC Traditional name
ethyl 6-bromo-7-methylimidazo[1,2-a]pyridine-2-carboxylate
Synonyms
Ethyl 6-bromo-7-methylimidazo[1,2-a]pyridine-2-carboxylate 98%
Ethyl 6-bromo-7-methylimidazo[1,2-a]pyridine-2-carboxylate
CAS Number
907945-87-3
MDL Number
MFCD09475851
PubChem SID
162040360
PubChem CID
26369803

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 26369803 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5758479  LogD (pH = 7.4) 2.5877054 
Log P 2.5878587  Molar Refractivity 65.0023 cm3
Polarizability 24.218294 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
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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