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1009378-52-2 molecular structure
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2-chloro-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine

ChemBase ID: 810518
Molecular Formular: C10H14BClN2O2
Molecular Mass: 240.49436
Monoisotopic Mass: 240.08368578
SMILES and InChIs

SMILES:
CC1(C)OB(OC1(C)C)c1cncc(n1)Cl
Canonical SMILES:
CC1(C)OB(OC1(C)C)c1cncc(n1)Cl
InChI:
InChI=1S/C10H14BClN2O2/c1-9(2)10(3,4)16-11(15-9)7-5-13-6-8(12)14-7/h5-6H,1-4H3
InChIKey:
OBTWHVVHJBRISW-UHFFFAOYSA-N

Cite this record

CBID:810518 http://www.chembase.cn/molecule-810518.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
IUPAC Traditional name
2-chloro-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
Synonyms
6-CHLOROPYRAZINE-2-BORONIC ACID PINACOL ESTER
CAS Number
1009378-52-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29195 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8639  LogD (pH = 7.4) 2.8639 
Log P 2.8639  Molar Refractivity 57.5789 cm3
Polarizability 24.192736 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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