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159870-80-1 molecular structure
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5-fluoro-2-iodopyridine

ChemBase ID: 70673
Molecular Formular: C5H3FIN
Molecular Mass: 222.9868932
Monoisotopic Mass: 222.92942532
SMILES and InChIs

SMILES:
c1(ccc(cn1)F)I
Canonical SMILES:
Ic1ccc(cn1)F
InChI:
InChI=1S/C5H3FIN/c6-4-1-2-5(7)8-3-4/h1-3H
InChIKey:
SKKQNFJMWPLVDB-UHFFFAOYSA-N

Cite this record

CBID:70673 http://www.chembase.cn/molecule-70673.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-fluoro-2-iodopyridine
IUPAC Traditional name
5-fluoro-2-iodopyridine
Synonyms
5-Fluoro-2-iodopyridine
CAS Number
159870-80-1
MDL Number
MFCD07787574
PubChem SID
162036386
PubChem CID
22832107

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8598073  LogD (pH = 7.4) 1.8598074 
Log P 1.8598074  Molar Refractivity 37.1881 cm3
Polarizability 14.6445055 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
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
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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