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MFCD00964682 molecular structure
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7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carbaldehyde

ChemBase ID: 35279
Molecular Formular: C15H12N2O
Molecular Mass: 236.26858
Monoisotopic Mass: 236.09496301
SMILES and InChIs

SMILES:
n12c(nc(c1C=O)c1ccccc1)cc(cc2)C
Canonical SMILES:
O=Cc1c(nc2n1ccc(c2)C)c1ccccc1
InChI:
InChI=1S/C15H12N2O/c1-11-7-8-17-13(10-18)15(16-14(17)9-11)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey:
KWLLHQOGNBYLDD-UHFFFAOYSA-N

Cite this record

CBID:35279 http://www.chembase.cn/molecule-35279.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carbaldehyde
IUPAC Traditional name
7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carbaldehyde
Synonyms
7-Methyl-2-phenylimidazo[1,2-a]pyridine-3-carbaldehyde
MDL Number
MFCD00964682
PubChem SID
160998586
PubChem CID
2759989

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 2759989 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.919932  LogD (pH = 7.4) 2.9383101 
Log P 2.93855  Molar Refractivity 72.2033 cm3
Polarizability 27.951826 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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