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38922-77-9 molecular structure
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ethyl imidazo[1,2-a]pyridine-2-carboxylate

ChemBase ID: 41705
Molecular Formular: C10H10N2O2
Molecular Mass: 190.1986
Monoisotopic Mass: 190.07422757
SMILES and InChIs

SMILES:
c1(nc2n(c1)cccc2)C(=O)OCC
Canonical SMILES:
CCOC(=O)c1nc2n(c1)cccc2
InChI:
InChI=1S/C10H10N2O2/c1-2-14-10(13)8-7-12-6-4-3-5-9(12)11-8/h3-7H,2H2,1H3
InChIKey:
GNFACXDTRBVZJE-UHFFFAOYSA-N

Cite this record

CBID:41705 http://www.chembase.cn/molecule-41705.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl imidazo[1,2-a]pyridine-2-carboxylate
IUPAC Traditional name
ethyl imidazo[1,2-a]pyridine-2-carboxylate
Synonyms
Ethyl imidazo[1,2-a]pyridine-2-carboxylate
Ethyl imidazo[1,2-a]pyridine-2-carboxylate 97%
Imidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester
Ethyl imidazo[1,2-a]pyridine-2-carboxylate
Imidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester
CAS Number
38922-77-9
MDL Number
MFCD02325394
PubChem SID
162046468
PubChem CID
818807

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2930112  LogD (pH = 7.4) 1.3055227 
Log P 1.3056847  Molar Refractivity 52.3383 cm3
Polarizability 19.57138 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
74 - 76°C expand Show data source
78-80°C expand Show data source
79.5-83°C expand Show data source
88 - 90 °C expand Show data source
88-90°C expand Show data source
Hydrophobicity(logP)
1.598 expand Show data source
Storage Warning
Harmful expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501 expand Show data source
Purity
>95% expand Show data source
95% expand Show data source
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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