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MFCD09994349 molecular structure
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7-methylimidazo[1,2-a]pyridine-3-carbaldehyde

ChemBase ID: 280186
Molecular Formular: C9H8N2O
Molecular Mass: 160.17262
Monoisotopic Mass: 160.06366289
SMILES and InChIs

SMILES:
n12c(ncc1C=O)cc(cc2)C
Canonical SMILES:
O=Cc1cnc2n1ccc(c2)C
InChI:
InChI=1S/C9H8N2O/c1-7-2-3-11-8(6-12)5-10-9(11)4-7/h2-6H,1H3
InChIKey:
RSNMQARSZMAYQS-UHFFFAOYSA-N

Cite this record

CBID:280186 http://www.chembase.cn/molecule-280186.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methylimidazo[1,2-a]pyridine-3-carbaldehyde
IUPAC Traditional name
7-methylimidazo[1,2-a]pyridine-3-carbaldehyde
Synonyms
7-methylimidazo[1,2-a]pyridine-3-carbaldehyde
MDL Number
MFCD09994349
PubChem SID
180665717
PubChem CID
10773254

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-87273 external link Add to cart Please log in.
Data Source Data ID
PubChem 10773254 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7815451  LogD (pH = 7.4) 0.90361685 
Log P 0.9054743  Molar Refractivity 47.4391 cm3
Polarizability 16.95149 Å3 Polar Surface Area 34.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
80 - 82°C expand Show data source
Hydrophobicity(logP)
1.789 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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