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1083179-99-0 molecular structure
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2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine

ChemBase ID: 180342
Molecular Formular: C10H15BN2O2
Molecular Mass: 206.0493
Monoisotopic Mass: 206.12265813
SMILES and InChIs

SMILES:
c1(cnccn1)B1OC(C(O1)(C)C)(C)C
Canonical SMILES:
CC1(C)OB(OC1(C)C)c1nccnc1
InChI:
InChI=1S/C10H15BN2O2/c1-9(2)10(3,4)15-11(14-9)8-7-12-5-6-13-8/h5-7H,1-4H3
InChIKey:
OERCBFJFHINDNO-UHFFFAOYSA-N

Cite this record

CBID:180342 http://www.chembase.cn/molecule-180342.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
IUPAC Traditional name
2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
Synonyms
Pyrazine, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
PYRAZINE-2-BORONIC ACID PINACOL ESTER
CAS Number
1083179-99-0
PubChem SID
164236252
PubChem CID
17750477

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 17750477 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9751996  LogD (pH = 7.4) 1.9751999 
Log P 1.9752  Molar Refractivity 51.7128 cm3
Polarizability 22.215673 Å3 Polar Surface Area 44.24 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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