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86882-92-0 molecular structure
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ethyl 3-amino-5,6-dichloropyrazine-2-carboxylate

ChemBase ID: 292717
Molecular Formular: C7H7Cl2N3O2
Molecular Mass: 236.05538
Monoisotopic Mass: 234.99153184
SMILES and InChIs

SMILES:
CCOC(=O)c1c(N)nc(Cl)c(Cl)n1
Canonical SMILES:
CCOC(=O)c1nc(Cl)c(nc1N)Cl
InChI:
InChI=1S/C7H7Cl2N3O2/c1-2-14-7(13)3-6(10)12-5(9)4(8)11-3/h2H2,1H3,(H2,10,12)
InChIKey:
RZKOWTFWPJEIGZ-UHFFFAOYSA-N

Cite this record

CBID:292717 http://www.chembase.cn/molecule-292717.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 3-amino-5,6-dichloropyrazine-2-carboxylate
IUPAC Traditional name
ethyl 3-amino-5,6-dichloropyrazine-2-carboxylate
Synonyms
Ethyl 3-amino-5,6-dichloropyrazine-2-carboxylate
CAS Number
86882-92-0
PubChem SID
180678248
PubChem CID
13245547

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241580 Please log in.
Data Source Data ID
PubChem 13245547 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.313494  H Acceptors
H Donor LogD (pH = 5.5) 2.1480114 
LogD (pH = 7.4) 2.1480114  Log P 2.1480114 
Molar Refractivity 54.8922 cm3 Polarizability 20.108208 Å3
Polar Surface Area 78.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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