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884494-48-8 molecular structure
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2-fluoro-3-iodo-6-methylpyridine

ChemBase ID: 294275
Molecular Formular: C6H5FIN
Molecular Mass: 237.0134732
Monoisotopic Mass: 236.94507539
SMILES and InChIs

SMILES:
Cc1ccc(I)c(F)n1
Canonical SMILES:
Cc1ccc(c(n1)F)I
InChI:
InChI=1S/C6H5FIN/c1-4-2-3-5(8)6(7)9-4/h2-3H,1H3
InChIKey:
TYHGMXVAEPEGRT-UHFFFAOYSA-N

Cite this record

CBID:294275 http://www.chembase.cn/molecule-294275.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoro-3-iodo-6-methylpyridine
IUPAC Traditional name
2-fluoro-3-iodo-6-methylpyridine
Synonyms
2-Fluoro-3-iodo-6-methylpyridine
CAS Number
884494-48-8
PubChem SID
180679806
PubChem CID
24820494

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD74805 Please log in.
Data Source Data ID
PubChem 24820494 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3525207  LogD (pH = 7.4) 2.3525207 
Log P 2.3525207  Molar Refractivity 43.0862 cm3
Polarizability 16.288527 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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