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1207749-62-9 molecular structure
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[6-(hydroxymethyl)pyridin-2-yl]boronic acid

ChemBase ID: 806698
Molecular Formular: C6H8BNO3
Molecular Mass: 152.94362
Monoisotopic Mass: 153.05972352
SMILES and InChIs

SMILES:
B(O)(O)c1nc(ccc1)CO
Canonical SMILES:
OCc1cccc(n1)B(O)O
InChI:
InChI=1S/C6H8BNO3/c9-4-5-2-1-3-6(8-5)7(10)11/h1-3,9-11H,4H2
InChIKey:
KRGHHPVWINHRMX-UHFFFAOYSA-N

Cite this record

CBID:806698 http://www.chembase.cn/molecule-806698.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[6-(hydroxymethyl)pyridin-2-yl]boronic acid
IUPAC Traditional name
6-(hydroxymethyl)pyridin-2-ylboronic acid
Synonyms
6-(HYDROXYMETHYL)PYRIDINE-2-BORONIC ACID
CAS Number
1207749-62-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24535 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24535 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.9803705  H Acceptors
H Donor LogD (pH = 5.5) 0.33999878 
LogD (pH = 7.4) 0.2406047  Log P 0.3415 
Molar Refractivity 35.0538 cm3 Polarizability 15.125899 Å3
Polar Surface Area 73.58 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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