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1142191-52-3 molecular structure
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2-bromo-5-iodopyridin-3-ol

ChemBase ID: 32946
Molecular Formular: C5H3BrINO
Molecular Mass: 299.89189
Monoisotopic Mass: 298.84427372
SMILES and InChIs

SMILES:
c1(cnc(c(c1)O)Br)I
Canonical SMILES:
Ic1cnc(c(c1)O)Br
InChI:
InChI=1S/C5H3BrINO/c6-5-4(9)1-3(7)2-8-5/h1-2,9H
InChIKey:
IWBJXACFIJFJHB-UHFFFAOYSA-N

Cite this record

CBID:32946 http://www.chembase.cn/molecule-32946.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-5-iodopyridin-3-ol
IUPAC Traditional name
2-bromo-5-iodopyridin-3-ol
Synonyms
2-Bromo-5-iodopyridin-3-ol
2-Bromo-5-iodopyridin-3-ol
CAS Number
1142191-52-3
MDL Number
MFCD12026744
PubChem SID
160996253
PubChem CID
46736821

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.6548395  H Acceptors
H Donor LogD (pH = 5.5) 2.3265202 
LogD (pH = 7.4) 1.5893533  Log P 2.3552272 
Molar Refractivity 47.7095 cm3 Polarizability 18.616858 Å3
Polar Surface Area 33.12 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
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C5H3BrINO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000476 external link
Other Notes
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Legal Information
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REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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