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26956-43-4 molecular structure
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4H,5H-furo[3,2-c]pyridin-4-one

ChemBase ID: 64927
Molecular Formular: C7H5NO2
Molecular Mass: 135.1201
Monoisotopic Mass: 135.03202841
SMILES and InChIs

SMILES:
[nH]1ccc2occc2c1=O
Canonical SMILES:
O=c1[nH]ccc2c1cco2
InChI:
InChI=1S/C7H5NO2/c9-7-5-2-4-10-6(5)1-3-8-7/h1-4H,(H,8,9)
InChIKey:
FYNCIYHECMWXPK-UHFFFAOYSA-N

Cite this record

CBID:64927 http://www.chembase.cn/molecule-64927.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4H,5H-furo[3,2-c]pyridin-4-one
IUPAC Traditional name
5H-furo[3,2-c]pyridin-4-one
Synonyms
Furo[3,2-c]pyridin-4(5H)-one
4H,5H-furo[3,2-c]pyridin-4-one
4,5-Dihydro-4-oxofuro[3,2-c]pyridine
CAS Number
26956-43-4
MDL Number
MFCD00183939
PubChem SID
162030666
PubChem CID
288746

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.06236  H Acceptors
H Donor LogD (pH = 5.5) 0.38447627 
LogD (pH = 7.4) 0.384468  Log P 0.38447636 
Molar Refractivity 35.8267 cm3 Polarizability 12.86102 Å3
Polar Surface Area 42.24 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
193 - 195°C expand Show data source
Hydrophobicity(logP)
0.198 expand Show data source
Storage Warning
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

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PATENTS

PATENTS

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INTERNET

INTERNET

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