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916176-61-9 molecular structure
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(6-fluoropyridin-2-yl)boronic acid

ChemBase ID: 806199
Molecular Formular: C5H5BFNO2
Molecular Mass: 140.9081032
Monoisotopic Mass: 141.03973703
SMILES and InChIs

SMILES:
B(O)(O)c1nc(ccc1)F
Canonical SMILES:
Fc1cccc(n1)B(O)O
InChI:
InChI=1S/C5H5BFNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3,9-10H
InChIKey:
KUKRPJYXNBIBIT-UHFFFAOYSA-N

Cite this record

CBID:806199 http://www.chembase.cn/molecule-806199.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(6-fluoropyridin-2-yl)boronic acid
IUPAC Traditional name
6-fluoropyridin-2-ylboronic acid
Synonyms
6-FLUOROPYRIDINE-2-BORONIC ACID
CAS Number
916176-61-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O23578 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O23578 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.881387  H Acceptors
H Donor LogD (pH = 5.5) 1.6214088 
LogD (pH = 7.4) 1.4998292  Log P 1.6232 
Molar Refractivity 29.9912 cm3 Polarizability 12.401324 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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