Home > Compound List > Compound details
30384-93-1 molecular structure
click picture or here to close

2-methylimidazo[1,2-a]pyridine-3-carbaldehyde

ChemBase ID: 18195
Molecular Formular: C9H8N2O
Molecular Mass: 160.17262
Monoisotopic Mass: 160.06366289
SMILES and InChIs

SMILES:
c12ccccn1c(c(n2)C)C=O
Canonical SMILES:
O=Cc1c(C)nc2n1cccc2
InChI:
InChI=1S/C9H8N2O/c1-7-8(6-12)11-5-3-2-4-9(11)10-7/h2-6H,1H3
InChIKey:
MCSIFRRJDAQKML-UHFFFAOYSA-N

Cite this record

CBID:18195 http://www.chembase.cn/molecule-18195.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methylimidazo[1,2-a]pyridine-3-carbaldehyde
IUPAC Traditional name
2-methylimidazo[1,2-a]pyridine-3-carbaldehyde
Synonyms
2-Methyl-imidazo[1,2-a]pyridine-3-carbaldehyde
3-Formyl-2-methyllimidazo[1,2-a]pyridine
2-Methylimidazo[1,2-a]pyridine-3-carboxaldehyde 97%
2-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CAS Number
30384-93-1
MDL Number
MFCD02251327
PubChem SID
160981502
PubChem CID
2759859

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.4278933  LogD (pH = 7.4) 0.5220702 
Log P 0.5234231  Molar Refractivity 46.9894 cm3
Polarizability 16.953096 Å3 Polar Surface Area 34.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
115 - 117°C expand Show data source
117-118°C expand Show data source
Partition Coefficient
0.899 expand Show data source
Hydrophobicity(logP)
1.359 expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle