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1025962-20-2 molecular structure
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2-{2-[4-(ethoxycarbonyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-yl}acetic acid

ChemBase ID: 168321
Molecular Formular: C19H18N2O4
Molecular Mass: 338.35722
Monoisotopic Mass: 338.12665707
SMILES and InChIs

SMILES:
c1cc(cn2c1nc(c2CC(=O)O)c1ccc(cc1)C(=O)OCC)C
Canonical SMILES:
CCOC(=O)c1ccc(cc1)c1nc2n(c1CC(=O)O)cc(cc2)C
InChI:
InChI=1S/C19H18N2O4/c1-3-25-19(24)14-7-5-13(6-8-14)18-15(10-17(22)23)21-11-12(2)4-9-16(21)20-18/h4-9,11H,3,10H2,1-2H3,(H,22,23)
InChIKey:
NSLAIYSSTGSVPR-UHFFFAOYSA-N

Cite this record

CBID:168321 http://www.chembase.cn/molecule-168321.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{2-[4-(ethoxycarbonyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-yl}acetic acid
IUPAC Traditional name
{2-[4-(ethoxycarbonyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-yl}acetic acid
Synonyms
2-[4-(Ethoxycarbonyl)phenyl]-6-methyl-imidazo[1,2-a]pyridine-3-acetic Acid
CAS Number
1025962-20-2
PubChem SID
162262453
PubChem CID
16088236

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC E891595 external link Add to cart
PubChem 16088236 external link
Data Source Data ID Price
TRC
E891595 external link Add to cart Please log in.
Data Source Data ID
PubChem 16088236 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.837776  H Acceptors
H Donor LogD (pH = 5.5) 1.5516135 
LogD (pH = 7.4) 0.22959241  Log P 1.6707108 
Molar Refractivity 93.7008 cm3 Polarizability 36.44928 Å3
Polar Surface Area 80.9 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dimethylformamide expand Show data source
DMSO expand Show data source
Methanol expand Show data source
Apperance
Off-White Solid expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - E891595 external link
An intermediate in the preparation of Zolpidem metabolites

REFERENCES

REFERENCES

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  • • Klupsch, F., et al.: Chem. Pharm. Bull., 54, 1318 (2006)
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PATENTS

PATENTS

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INTERNET

INTERNET

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