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408502-43-2 molecular structure
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3-bromo-2-iodopyridine

ChemBase ID: 92234
Molecular Formular: C5H3BrIN
Molecular Mass: 283.89249
Monoisotopic Mass: 282.8493591
SMILES and InChIs

SMILES:
n1c(c(ccc1)Br)I
Canonical SMILES:
Brc1cccnc1I
InChI:
InChI=1S/C5H3BrIN/c6-4-2-1-3-8-5(4)7/h1-3H
InChIKey:
NYCGGAQICCWUCI-UHFFFAOYSA-N

Cite this record

CBID:92234 http://www.chembase.cn/molecule-92234.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-2-iodopyridine
IUPAC Traditional name
3-bromo-2-iodopyridine
Synonyms
3-Bromo-2-iodopyridine
CAS Number
408502-43-2
MDL Number
MFCD08543471
PubChem SID
162078932
PubChem CID
23542451

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23542451 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.485857  LogD (pH = 7.4) 2.4858582 
Log P 2.4858582  Molar Refractivity 44.5945 cm3
Polarizability 17.90069 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
50-52°C expand Show data source
Boiling Point
138-139°C/8mm expand Show data source
Storage Warning
Harmful/Irritant/Light Sensitive/Store under Argon/Keep Cold expand Show data source
Purity
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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