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908369-20-0 molecular structure
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[5-(hydroxymethyl)pyridin-3-yl]boronic acid

ChemBase ID: 797082
Molecular Formular: C6H8BNO3
Molecular Mass: 152.94362
Monoisotopic Mass: 153.05972352
SMILES and InChIs

SMILES:
B(O)(O)c1cncc(c1)CO
Canonical SMILES:
OCc1cncc(c1)B(O)O
InChI:
InChI=1S/C6H8BNO3/c9-4-5-1-6(7(10)11)3-8-2-5/h1-3,9-11H,4H2
InChIKey:
BZFSPSWVQWMKQM-UHFFFAOYSA-N

Cite this record

CBID:797082 http://www.chembase.cn/molecule-797082.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[5-(hydroxymethyl)pyridin-3-yl]boronic acid
IUPAC Traditional name
5-(hydroxymethyl)pyridin-3-ylboronic acid
Synonyms
(5-(HydroxyMethyl)pyridin-3-yl)boronic acid
CAS Number
908369-20-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O5695 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O5695 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.3455925  H Acceptors
H Donor LogD (pH = 5.5) -0.51199317 
LogD (pH = 7.4) -0.553858  Log P -0.5074 
Molar Refractivity 35.2625 cm3 Polarizability 15.1207285 Å3
Polar Surface Area 73.58 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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