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372963-51-4 molecular structure
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(6-methoxypyridin-2-yl)boronic acid

ChemBase ID: 813257
Molecular Formular: C6H8BNO3
Molecular Mass: 152.94362
Monoisotopic Mass: 153.05972352
SMILES and InChIs

SMILES:
B(O)(O)c1nc(ccc1)OC
Canonical SMILES:
COc1cccc(n1)B(O)O
InChI:
InChI=1S/C6H8BNO3/c1-11-6-4-2-3-5(8-6)7(9)10/h2-4,9-10H,1H3
InChIKey:
GQWZKBTZAFEQJZ-UHFFFAOYSA-N

Cite this record

CBID:813257 http://www.chembase.cn/molecule-813257.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(6-methoxypyridin-2-yl)boronic acid
IUPAC Traditional name
6-methoxypyridin-2-ylboronic acid
Synonyms
6-METHOXYPYRIDINE-2-BORONIC ACID
CAS Number
372963-51-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O34448 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O34448 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.9365373  H Acceptors
H Donor LogD (pH = 5.5) 1.4708205 
LogD (pH = 7.4) 1.3620434  Log P 1.4724 
Molar Refractivity 35.5368 cm3 Polarizability 15.188978 Å3
Polar Surface Area 62.58 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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