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1142944-78-2 molecular structure
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(5-methoxypyridin-2-yl)boronic acid

ChemBase ID: 290703
Molecular Formular: C6H8BNO3
Molecular Mass: 152.94362
Monoisotopic Mass: 153.05972352
SMILES and InChIs

SMILES:
COc1cnc(B(O)O)cc1
Canonical SMILES:
COc1ccc(nc1)B(O)O
InChI:
InChI=1S/C6H8BNO3/c1-11-5-2-3-6(7(9)10)8-4-5/h2-4,9-10H,1H3
InChIKey:
QXWTVLPBRHGDBI-UHFFFAOYSA-N

Cite this record

CBID:290703 http://www.chembase.cn/molecule-290703.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-methoxypyridin-2-yl)boronic acid
IUPAC Traditional name
5-methoxypyridin-2-ylboronic acid
Synonyms
(5-Methoxypyridin-2-yl)boronic acid
5-METHOXYPYRIDINE-2-BORONIC ACID
CAS Number
1142944-78-2
PubChem SID
180676234
PubChem CID
45090882

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 45090882 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.145309  H Acceptors
H Donor LogD (pH = 5.5) 0.7727732 
LogD (pH = 7.4) 0.7023469  Log P 0.7738 
Molar Refractivity 35.2233 cm3 Polarizability 15.18608 Å3
Polar Surface Area 62.58 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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