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1070893-11-6 molecular structure
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(4,6-dichloropyridin-3-yl)boronic acid

ChemBase ID: 807239
Molecular Formular: C5H4BCl2NO2
Molecular Mass: 191.80776
Monoisotopic Mass: 190.97121413
SMILES and InChIs

SMILES:
B(O)(O)c1cnc(cc1Cl)Cl
Canonical SMILES:
OB(c1cnc(cc1Cl)Cl)O
InChI:
InChI=1S/C5H4BCl2NO2/c7-4-1-5(8)9-2-3(4)6(10)11/h1-2,10-11H
InChIKey:
MUXIQUFADVGXLV-UHFFFAOYSA-N

Cite this record

CBID:807239 http://www.chembase.cn/molecule-807239.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4,6-dichloropyridin-3-yl)boronic acid
IUPAC Traditional name
4,6-dichloropyridin-3-ylboronic acid
Synonyms
4,6-DICHLOROPYRIDINE-3-BORONIC ACID
CAS Number
1070893-11-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O25192 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O25192 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.07468  H Acceptors
H Donor LogD (pH = 5.5) 1.7334512 
LogD (pH = 7.4) 1.6516498  Log P 1.7346 
Molar Refractivity 39.1175 cm3 Polarizability 16.596045 Å3
Polar Surface Area 53.35 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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