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884495-31-2 molecular structure
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5-chloro-2-fluoro-3-iodopyridine

ChemBase ID: 293726
Molecular Formular: C5H2ClFIN
Molecular Mass: 257.4319532
Monoisotopic Mass: 256.89045297
SMILES and InChIs

SMILES:
Fc1ncc(Cl)cc1I
Canonical SMILES:
Clc1cnc(c(c1)I)F
InChI:
InChI=1S/C5H2ClFIN/c6-3-1-4(8)5(7)9-2-3/h1-2H
InChIKey:
ASCAFZNEDOLLTH-UHFFFAOYSA-N

Cite this record

CBID:293726 http://www.chembase.cn/molecule-293726.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-2-fluoro-3-iodopyridine
IUPAC Traditional name
5-chloro-2-fluoro-3-iodopyridine
Synonyms
5-Chloro-2-fluoro-3-iodopyridine
CAS Number
884495-31-2
PubChem SID
180679257
PubChem CID
44754855

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD38273 Please log in.
Data Source Data ID
PubChem 44754855 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.825195  LogD (pH = 7.4) 2.825195 
Log P 2.825195  Molar Refractivity 43.2995 cm3
Polarizability 16.61001 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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