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67625-40-5 molecular structure
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ethyl 8-methylimidazo[1,2-a]pyridine-2-carboxylate

ChemBase ID: 63916
Molecular Formular: C11H12N2O2
Molecular Mass: 204.22518
Monoisotopic Mass: 204.08987763
SMILES and InChIs

SMILES:
n1c(cn2c1c(ccc2)C)C(=O)OCC
Canonical SMILES:
CCOC(=O)c1cn2c(n1)c(C)ccc2
InChI:
InChI=1S/C11H12N2O2/c1-3-15-11(14)9-7-13-6-4-5-8(2)10(13)12-9/h4-7H,3H2,1-2H3
InChIKey:
PUVNOZGJIVZLJH-UHFFFAOYSA-N

Cite this record

CBID:63916 http://www.chembase.cn/molecule-63916.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 8-methylimidazo[1,2-a]pyridine-2-carboxylate
IUPAC Traditional name
ethyl 8-methylimidazo[1,2-a]pyridine-2-carboxylate
Synonyms
8-Methylimidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester
Ethyl 8-methylimidazo[1,2-a]pyridine-2-carboxylate
CAS Number
67625-40-5
MDL Number
MFCD03419470
PubChem SID
162029655
PubChem CID
5259932

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5259932 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7966394  LogD (pH = 7.4) 1.8188155 
Log P 1.8191061  Molar Refractivity 57.3795 cm3
Polarizability 21.33178 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
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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