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652148-93-1 molecular structure
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5-chloro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

ChemBase ID: 810313
Molecular Formular: C11H15BClNO2
Molecular Mass: 239.5063
Monoisotopic Mass: 239.08843681
SMILES and InChIs

SMILES:
CC1(C)OB(OC1(C)C)c1ncc(cc1)Cl
Canonical SMILES:
Clc1ccc(nc1)B1OC(C(O1)(C)C)(C)C
InChI:
InChI=1S/C11H15BClNO2/c1-10(2)11(3,4)16-12(15-10)9-6-5-8(13)7-14-9/h5-7H,1-4H3
InChIKey:
RWOCXFPQPISTSD-UHFFFAOYSA-N

Cite this record

CBID:810313 http://www.chembase.cn/molecule-810313.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Traditional name
5-chloro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Synonyms
5-CHLOROPYRIDINE-2-BORONIC ACID PINACOL ESTER
CAS Number
652148-93-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O28730 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.8050985  LogD (pH = 7.4) 3.8051 
Log P 3.8051  Molar Refractivity 58.6745 cm3
Polarizability 25.000793 Å3 Polar Surface Area 31.35 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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