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MFCD00139509 molecular structure
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ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate

ChemBase ID: 93031
Molecular Formular: C11H12N2O2
Molecular Mass: 204.22518
Monoisotopic Mass: 204.08987763
SMILES and InChIs

SMILES:
n1c2n(c(c1C)C(=O)OCC)cccc2
Canonical SMILES:
CCOC(=O)c1c(C)nc2n1cccc2
InChI:
InChI=1S/C11H12N2O2/c1-3-15-11(14)10-8(2)12-9-6-4-5-7-13(9)10/h4-7H,3H2,1-2H3
InChIKey:
FLAQFBICEAEEOA-UHFFFAOYSA-N

Cite this record

CBID:93031 http://www.chembase.cn/molecule-93031.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
IUPAC Traditional name
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
Synonyms
Ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
MDL Number
MFCD00139509
PubChem SID
162079729
PubChem CID
743829

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 743829 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Donor LogD (pH = 5.5) 1.1473384 
LogD (pH = 7.4) 1.1708964  Log P 1.1712056 
Molar Refractivity 57.1793 cm3 Polarizability 21.332594 Å3
Polar Surface Area 43.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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