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MFCD00139522 molecular structure
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ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate

ChemBase ID: 92936
Molecular Formular: C17H16N2O2
Molecular Mass: 280.32114
Monoisotopic Mass: 280.12117776
SMILES and InChIs

SMILES:
n1c2n(ccc(c2)C)c(c1c1ccccc1)C(=O)OCC
Canonical SMILES:
CCOC(=O)c1c(nc2n1ccc(c2)C)c1ccccc1
InChI:
InChI=1S/C17H16N2O2/c1-3-21-17(20)16-15(13-7-5-4-6-8-13)18-14-11-12(2)9-10-19(14)16/h4-11H,3H2,1-2H3
InChIKey:
ZFVHFQJRAAKKTD-UHFFFAOYSA-N

Cite this record

CBID:92936 http://www.chembase.cn/molecule-92936.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
IUPAC Traditional name
ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
Synonyms
Ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
MDL Number
MFCD00139522
PubChem SID
162079634
PubChem CID
1473603

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 1473603 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5819602  LogD (pH = 7.4) 3.5862772 
Log P 3.5863326  Molar Refractivity 82.3932 cm3
Polarizability 32.296616 Å3 Polar Surface Area 43.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

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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