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902837-53-0 molecular structure
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2-(cyclopropylmethoxy)-5-iodopyridine

ChemBase ID: 297441
Molecular Formular: C9H10INO
Molecular Mass: 275.08627
Monoisotopic Mass: 274.98071195
SMILES and InChIs

SMILES:
c1cc(ncc1I)OCC1CC1
Canonical SMILES:
Ic1ccc(nc1)OCC1CC1
InChI:
InChI=1S/C9H10INO/c10-8-3-4-9(11-5-8)12-6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKey:
RSDBDRUZAIKDFL-UHFFFAOYSA-N

Cite this record

CBID:297441 http://www.chembase.cn/molecule-297441.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(cyclopropylmethoxy)-5-iodopyridine
IUPAC Traditional name
2-(cyclopropylmethoxy)-5-iodopyridine
Synonyms
2-Cyclopropylmethoxy-5-iodopyridine
2-(环丙基甲氧基)-5-碘吡啶
CAS Number
902837-53-0
MDL Number
MFCD07781183
PubChem SID
180682972
PubChem CID
42553164

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Alfa Aesar
H50138 external link Add to cart Please log in.
Data Source Data ID
PubChem 42553164 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.901861  LogD (pH = 7.4) 2.9018812 
Log P 2.9018815  Molar Refractivity 55.9823 cm3
Polarizability 21.934288 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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