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1196146-82-3 molecular structure
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5-bromo-2-chloropyridin-4-ol

ChemBase ID: 814081
Molecular Formular: C5H3BrClNO
Molecular Mass: 208.44042
Monoisotopic Mass: 206.9086534
SMILES and InChIs

SMILES:
n1c(cc(c(c1)Br)O)Cl
Canonical SMILES:
Clc1ncc(c(c1)O)Br
InChI:
InChI=1S/C5H3BrClNO/c6-3-2-8-5(7)1-4(3)9/h1-2H,(H,8,9)
InChIKey:
HKPSSVMYMKAABY-UHFFFAOYSA-N

Cite this record

CBID:814081 http://www.chembase.cn/molecule-814081.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-2-chloropyridin-4-ol
IUPAC Traditional name
5-bromo-2-chloropyridin-4-ol
Synonyms
5-bromo-2-chloropyridin-4-ol
CAS Number
1196146-82-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36217 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36217 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.034565  H Acceptors
H Donor LogD (pH = 5.5) 2.043743 
LogD (pH = 7.4) 1.9565045  Log P 2.0449824 
Molar Refractivity 39.3709 cm3 Polarizability 15.060499 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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