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1071455-09-8 molecular structure
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ethyl 2-(6-chloropyrazin-2-yl)acetate

ChemBase ID: 814341
Molecular Formular: C8H9ClN2O2
Molecular Mass: 200.62226
Monoisotopic Mass: 200.03525522
SMILES and InChIs

SMILES:
O(C(=O)Cc1cncc(n1)Cl)CC
Canonical SMILES:
CCOC(=O)Cc1cncc(n1)Cl
InChI:
InChI=1S/C8H9ClN2O2/c1-2-13-8(12)3-6-4-10-5-7(9)11-6/h4-5H,2-3H2,1H3
InChIKey:
MXVFGAGOQNLOCD-UHFFFAOYSA-N

Cite this record

CBID:814341 http://www.chembase.cn/molecule-814341.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-(6-chloropyrazin-2-yl)acetate
IUPAC Traditional name
ethyl 2-(6-chloropyrazin-2-yl)acetate
Synonyms
ethyl 2-(6-chloropyrazin-2-yl)acetate
CAS Number
1071455-09-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36501 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36501 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.51402  H Acceptors
H Donor LogD (pH = 5.5) 0.8884231 
LogD (pH = 7.4) 0.88842344  Log P 0.88842344 
Molar Refractivity 48.0636 cm3 Polarizability 18.703323 Å3
Polar Surface Area 52.08 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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