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917252-78-9 molecular structure
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methyl 2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate

ChemBase ID: 172820
Molecular Formular: C16H14N2O2
Molecular Mass: 266.29456
Monoisotopic Mass: 266.1055277
SMILES and InChIs

SMILES:
c1cc(cn2c1nc(c2)c1ccc(cc1)C)C(=O)OC
Canonical SMILES:
COC(=O)c1ccc2n(c1)cc(n2)c1ccc(cc1)C
InChI:
InChI=1S/C16H14N2O2/c1-11-3-5-12(6-4-11)14-10-18-9-13(16(19)20-2)7-8-15(18)17-14/h3-10H,1-2H3
InChIKey:
GGBGKTKRISZKAC-UHFFFAOYSA-N

Cite this record

CBID:172820 http://www.chembase.cn/molecule-172820.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
IUPAC Traditional name
methyl 2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
Synonyms
2-(4-Methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic Acid Methyl Ester
6-(Methoxycarbonyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CAS Number
917252-78-9
PubChem SID
164228730
PubChem CID
16088231

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M261335 external link Add to cart
PubChem 16088231 external link
Data Source Data ID Price
TRC
M261335 external link Add to cart Please log in.
Data Source Data ID
PubChem 16088231 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1801846  LogD (pH = 7.4) 3.3076115 
Log P 3.3095236  Molar Refractivity 77.7671 cm3
Polarizability 30.437037 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)
Solubility
Chloroform expand Show data source
Dimethylformamide expand Show data source
Methanol, expand Show data source
Apperance
Brown 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 - M261335 external link
An intermediate in the production 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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