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53335-73-2 molecular structure
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2,5-dichloropyridin-3-ol

ChemBase ID: 54532
Molecular Formular: C5H3Cl2NO
Molecular Mass: 163.98942
Monoisotopic Mass: 162.95916908
SMILES and InChIs

SMILES:
c1(cnc(c(c1)O)Cl)Cl
Canonical SMILES:
Clc1cnc(c(c1)O)Cl
InChI:
InChI=1S/C5H3Cl2NO/c6-3-1-4(9)5(7)8-2-3/h1-2,9H
InChIKey:
UZTLKHQBGBOLIX-UHFFFAOYSA-N

Cite this record

CBID:54532 http://www.chembase.cn/molecule-54532.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-dichloropyridin-3-ol
IUPAC Traditional name
2,5-dichloropyridin-3-ol
Synonyms
2,5-Dichloropyridin-3-ol
2,5-Dichloro-3-hydroxypyridine
2,5-Dichloropyridin-3-ol
CAS Number
53335-73-2
MDL Number
MFCD13185537
PubChem SID
162059295
PubChem CID
9898917

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.563674  H Acceptors
H Donor LogD (pH = 5.5) 1.845153 
LogD (pH = 7.4) 1.047928  Log P 1.8802747 
Molar Refractivity 36.5529 cm3 Polarizability 14.000341 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)
C5H3Cl2NO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000179 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

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