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372147-49-4 molecular structure
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ethyl imidazo[1,2-a]pyridine-7-carboxylate

ChemBase ID: 53742
Molecular Formular: C10H10N2O2
Molecular Mass: 190.1986
Monoisotopic Mass: 190.07422757
SMILES and InChIs

SMILES:
c12n(ccc(c1)C(=O)OCC)ccn2
Canonical SMILES:
CCOC(=O)c1ccn2c(c1)ncc2
InChI:
InChI=1S/C10H10N2O2/c1-2-14-10(13)8-3-5-12-6-4-11-9(12)7-8/h3-7H,2H2,1H3
InChIKey:
UWYWNAGXCZHLLM-UHFFFAOYSA-N

Cite this record

CBID:53742 http://www.chembase.cn/molecule-53742.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl imidazo[1,2-a]pyridine-7-carboxylate
IUPAC Traditional name
ethyl imidazo[1,2-a]pyridine-7-carboxylate
Synonyms
Ethyl imidazo[1,2-a]pyridine-7-carboxylate
Ethyl imidazo[1,2-a]pyridine-7-carboxylate 98%
CAS Number
372147-49-4
MDL Number
MFCD08436046
PubChem SID
162058505
PubChem CID
11789985

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11789985 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.508922  LogD (pH = 7.4) 1.0970308 
Log P 1.1198343  Molar Refractivity 52.7103 cm3
Polarizability 19.565296 Å3 Polar Surface Area 43.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
79-81°C expand Show data source
87 - 88 °C expand Show data source
87-88°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant/Keep Cold 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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