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MFCD05177734 molecular structure
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2-(4-ethylphenyl)-7-methylimidazo[1,2-a]pyridine-3-carbaldehyde

ChemBase ID: 35291
Molecular Formular: C17H16N2O
Molecular Mass: 264.32174
Monoisotopic Mass: 264.12626314
SMILES and InChIs

SMILES:
n12c(nc(c1C=O)c1ccc(cc1)CC)cc(cc2)C
Canonical SMILES:
O=Cc1c(nc2n1ccc(c2)C)c1ccc(cc1)CC
InChI:
InChI=1S/C17H16N2O/c1-3-13-4-6-14(7-5-13)17-15(11-20)19-9-8-12(2)10-16(19)18-17/h4-11H,3H2,1-2H3
InChIKey:
VTCFTPNMNKFMBL-UHFFFAOYSA-N

Cite this record

CBID:35291 http://www.chembase.cn/molecule-35291.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-ethylphenyl)-7-methylimidazo[1,2-a]pyridine-3-carbaldehyde
IUPAC Traditional name
2-(4-ethylphenyl)-7-methylimidazo[1,2-a]pyridine-3-carbaldehyde
Synonyms
2-(4-Ethylphenyl)-7-methylimidazo[1,2-a]pyridine-3-carbaldehyde
MDL Number
MFCD05177734
PubChem SID
160998598
PubChem CID
25219654

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
038064 external link Add to cart Please log in.
Data Source Data ID
PubChem 25219654 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.877842  LogD (pH = 7.4) 3.8962994 
Log P 3.89654  Molar Refractivity 81.8455 cm3
Polarizability 31.562632 Å3 Polar Surface Area 34.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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