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426239-77-2 molecular structure
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2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde

ChemBase ID: 35307
Molecular Formular: C15H12N2O2
Molecular Mass: 252.26798
Monoisotopic Mass: 252.08987763
SMILES and InChIs

SMILES:
n1c(c(n2c1cccc2)C=O)c1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)c1nc2n(c1C=O)cccc2
InChI:
InChI=1S/C15H12N2O2/c1-19-12-7-5-11(6-8-12)15-13(10-18)17-9-3-2-4-14(17)16-15/h2-10H,1H3
InChIKey:
XWVNZBQGMNSCDV-UHFFFAOYSA-N

Cite this record

CBID:35307 http://www.chembase.cn/molecule-35307.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
IUPAC Traditional name
2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
Synonyms
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CAS Number
426239-77-2
MDL Number
MFCD02637969
PubChem SID
160998614
PubChem CID
712400

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 712400 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2500365  LogD (pH = 7.4) 2.2672334 
Log P 2.2674572  Molar Refractivity 73.6253 cm3
Polarizability 28.669662 Å3 Polar Surface Area 43.6 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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