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136117-69-6 molecular structure
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methyl imidazo[1,2-a]pyridine-6-carboxylate

ChemBase ID: 42237
Molecular Formular: C9H8N2O2
Molecular Mass: 176.17202
Monoisotopic Mass: 176.05857751
SMILES and InChIs

SMILES:
c1(cn2c(ncc2)cc1)C(=O)OC
Canonical SMILES:
COC(=O)c1ccc2n(c1)ccn2
InChI:
InChI=1S/C9H8N2O2/c1-13-9(12)7-2-3-8-10-4-5-11(8)6-7/h2-6H,1H3
InChIKey:
BTDBMFODXFTFIL-UHFFFAOYSA-N

Cite this record

CBID:42237 http://www.chembase.cn/molecule-42237.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl imidazo[1,2-a]pyridine-6-carboxylate
IUPAC Traditional name
methyl imidazo[1,2-a]pyridine-6-carboxylate
Synonyms
Methyl imidazo[1,2-a]pyridine-6-carboxylate
CAS Number
136117-69-6
MDL Number
MFCD06200984
PubChem SID
162047000
PubChem CID
2764326

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2764326 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.24247272  LogD (pH = 7.4) 0.74728 
Log P 0.7630264  Molar Refractivity 47.9617 cm3
Polarizability 17.729237 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
147 - 148 °C expand Show data source
147-148°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
> 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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