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1208101-73-8 molecular structure
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(4-fluoropyridin-2-yl)boronic acid

ChemBase ID: 806344
Molecular Formular: C5H5BFNO2
Molecular Mass: 140.9081032
Monoisotopic Mass: 141.03973703
SMILES and InChIs

SMILES:
B(O)(O)c1nccc(c1)F
Canonical SMILES:
OB(c1nccc(c1)F)O
InChI:
InChI=1S/C5H5BFNO2/c7-4-1-2-8-5(3-4)6(9)10/h1-3,9-10H
InChIKey:
PZRLKJBUBZCNCM-UHFFFAOYSA-N

Cite this record

CBID:806344 http://www.chembase.cn/molecule-806344.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-fluoropyridin-2-yl)boronic acid
IUPAC Traditional name
4-fluoropyridin-2-ylboronic acid
Synonyms
4-FLUOROPYRIDINE-2-BORONIC ACID
CAS Number
1208101-73-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O23887 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O23887 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.8560076  H Acceptors
H Donor LogD (pH = 5.5) 1.1640271 
LogD (pH = 7.4) 1.0361952  Log P 1.166 
Molar Refractivity 28.9765 cm3 Polarizability 12.400011 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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