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446269-62-1 molecular structure
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3-(4-chlorophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde

ChemBase ID: 113436
Molecular Formular: C14H9ClN2O
Molecular Mass: 256.68706
Monoisotopic Mass: 256.0403406
SMILES and InChIs

SMILES:
n1c(n2c(c1C=O)cccc2)c1ccc(cc1)Cl
Canonical SMILES:
O=Cc1nc(n2c1cccc2)c1ccc(cc1)Cl
InChI:
InChI=1S/C14H9ClN2O/c15-11-6-4-10(5-7-11)14-16-12(9-18)13-3-1-2-8-17(13)14/h1-9H
InChIKey:
WMDCWTLEGLJZAU-UHFFFAOYSA-N

Cite this record

CBID:113436 http://www.chembase.cn/molecule-113436.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(4-chlorophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
IUPAC Traditional name
3-(4-chlorophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
Synonyms
3-(4-Chlorophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CAS Number
446269-62-1
MDL Number
MFCD02656041
PubChem SID
162097906
PubChem CID
2791582

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Life Chemicals
F1061-0002 external link Add to cart Please log in.
Data Source Data ID
PubChem 2791582 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1873236  LogD (pH = 7.4) 3.4231637 
Log P 3.4272661  Molar Refractivity 82.4419 cm3
Polarizability 27.991442 Å3 Polar Surface Area 34.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
3.153 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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