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1208101-45-4 molecular structure
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(5-fluoro-6-methylpyridin-2-yl)boronic acid

ChemBase ID: 806346
Molecular Formular: C6H7BFNO2
Molecular Mass: 154.9346832
Monoisotopic Mass: 155.05538709
SMILES and InChIs

SMILES:
B(O)(O)c1nc(c(cc1)F)C
Canonical SMILES:
OB(c1ccc(c(n1)C)F)O
InChI:
InChI=1S/C6H7BFNO2/c1-4-5(8)2-3-6(9-4)7(10)11/h2-3,10-11H,1H3
InChIKey:
WDAILCPJIWDYCA-UHFFFAOYSA-N

Cite this record

CBID:806346 http://www.chembase.cn/molecule-806346.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-fluoro-6-methylpyridin-2-yl)boronic acid
IUPAC Traditional name
5-fluoro-6-methylpyridin-2-ylboronic acid
Synonyms
5-FLUORO-6-METHYLPYRIDINE-2-BORONIC ACID
CAS Number
1208101-45-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O23890 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O23890 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.092368  H Acceptors
H Donor LogD (pH = 5.5) 1.3354934 
LogD (pH = 7.4) 1.256687  Log P 1.3366 
Molar Refractivity 33.568 cm3 Polarizability 14.147903 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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