Home > Compound List > Compound details
857284-14-1 molecular structure
click picture or here to close

5-(pyridin-3-yloxy)furan-2-carbaldehyde

ChemBase ID: 91180
Molecular Formular: C10H7NO3
Molecular Mass: 189.16748
Monoisotopic Mass: 189.04259309
SMILES and InChIs

SMILES:
o1c(ccc1C=O)Oc1cnccc1
Canonical SMILES:
O=Cc1ccc(o1)Oc1cccnc1
InChI:
InChI=1S/C10H7NO3/c12-7-9-3-4-10(14-9)13-8-2-1-5-11-6-8/h1-7H
InChIKey:
GXAKPDWNMSFIQY-UHFFFAOYSA-N

Cite this record

CBID:91180 http://www.chembase.cn/molecule-91180.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(pyridin-3-yloxy)furan-2-carbaldehyde
IUPAC Traditional name
5-(pyridin-3-yloxy)furan-2-carbaldehyde
Synonyms
5-(Pyridin-3-yloxy)-2-furaldehyde 97%
5-(pyrid-3-yloxy)-2-furaldehyde
CAS Number
857284-14-1
MDL Number
MFCD07772851
PubChem SID
162077884
PubChem CID
7162336

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 7162336 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0796282  LogD (pH = 7.4) 1.1173918 
Log P 1.1179006  Molar Refractivity 48.3701 cm3
Polarizability 18.560564 Å3 Polar Surface Area 52.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
72-73°C expand Show data source
Storage Warning
Irritant expand Show data source
Purity
97% 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