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1220909-75-0 molecular structure
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(5-aminopyridin-2-yl)boronic acid

ChemBase ID: 806350
Molecular Formular: C5H7BN2O2
Molecular Mass: 137.93228
Monoisotopic Mass: 138.06005787
SMILES and InChIs

SMILES:
B(O)(O)c1ncc(cc1)N
Canonical SMILES:
Nc1ccc(nc1)B(O)O
InChI:
InChI=1S/C5H7BN2O2/c7-4-1-2-5(6(9)10)8-3-4/h1-3,9-10H,7H2
InChIKey:
DJTRHGOAIMJTDR-UHFFFAOYSA-N

Cite this record

CBID:806350 http://www.chembase.cn/molecule-806350.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-aminopyridin-2-yl)boronic acid
IUPAC Traditional name
5-aminopyridin-2-ylboronic acid
Synonyms
5-AMINOPYRIDINE-2-BORONIC ACID
CAS Number
1220909-75-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O23894 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O23894 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.359661  H Acceptors
H Donor LogD (pH = 5.5) 0.2423979 
LogD (pH = 7.4) 0.19829719  Log P 0.2433 
Molar Refractivity 33.4605 cm3 Polarizability 13.799226 Å3
Polar Surface Area 79.37 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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