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1244772-69-7 molecular structure
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3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-4-ol

ChemBase ID: 796281
Molecular Formular: C11H16BNO3
Molecular Mass: 221.06064
Monoisotopic Mass: 221.12232378
SMILES and InChIs

SMILES:
n1cc(c(cc1)O)B1OC(C(O1)(C)C)(C)C
Canonical SMILES:
CC1(C)OB(OC1(C)C)c1cnccc1O
InChI:
InChI=1S/C11H16BNO3/c1-10(2)11(3,4)16-12(15-10)8-7-13-6-5-9(8)14/h5-7H,1-4H3,(H,13,14)
InChIKey:
CBTQFHBTLKCIGI-UHFFFAOYSA-N

Cite this record

CBID:796281 http://www.chembase.cn/molecule-796281.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-4-ol
IUPAC Traditional name
3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-4-ol
Synonyms
3-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)pyridin-4-ol
CAS Number
1244772-69-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O2117 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O2117 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.017658  H Acceptors
H Donor LogD (pH = 5.5) 2.3036222 
LogD (pH = 7.4) 2.294229  Log P 2.3041 
Molar Refractivity 55.5371 cm3 Polarizability 23.70924 Å3
Polar Surface Area 51.58 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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