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MFCD05177278 molecular structure
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2-(2,5-dimethylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde

ChemBase ID: 35276
Molecular Formular: C16H14N2O
Molecular Mass: 250.29516
Monoisotopic Mass: 250.11061308
SMILES and InChIs

SMILES:
c1(nc2n(c1C=O)cccc2)c1c(ccc(c1)C)C
Canonical SMILES:
O=Cc1c(nc2n1cccc2)c1cc(C)ccc1C
InChI:
InChI=1S/C16H14N2O/c1-11-6-7-12(2)13(9-11)16-14(10-19)18-8-4-3-5-15(18)17-16/h3-10H,1-2H3
InChIKey:
FKEJTILFXONHSM-UHFFFAOYSA-N

Cite this record

CBID:35276 http://www.chembase.cn/molecule-35276.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2,5-dimethylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
IUPAC Traditional name
2-(2,5-dimethylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
Synonyms
2-(2,5-Dimethylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
MDL Number
MFCD05177278
PubChem SID
160998583
PubChem CID
4715285

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 4715285 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.4349232  LogD (pH = 7.4) 3.4517522 
Log P 3.4519713  Molar Refractivity 77.2445 cm3
Polarizability 29.716818 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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