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1035818-91-7 molecular structure
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methyl 3,5-dibromopyrazine-2-carboxylate

ChemBase ID: 68282
Molecular Formular: C6H4Br2N2O2
Molecular Mass: 295.91616
Monoisotopic Mass: 293.86395138
SMILES and InChIs

SMILES:
c1(c(nc(cn1)Br)Br)C(=O)OC
Canonical SMILES:
COC(=O)c1ncc(nc1Br)Br
InChI:
InChI=1S/C6H4Br2N2O2/c1-12-6(11)4-5(8)10-3(7)2-9-4/h2H,1H3
InChIKey:
UGSDJCJVOHRWIA-UHFFFAOYSA-N

Cite this record

CBID:68282 http://www.chembase.cn/molecule-68282.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 3,5-dibromopyrazine-2-carboxylate
IUPAC Traditional name
methyl 3,5-dibromopyrazine-2-carboxylate
Synonyms
Methyl 3,5-dibromopyrazine-2-carboxylate
CAS Number
1035818-91-7
MDL Number
MFCD11226366
PubChem SID
162034014
PubChem CID
45790796

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 45790796 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6757776  LogD (pH = 7.4) 1.6757776 
Log P 1.6757776  Molar Refractivity 50.3275 cm3
Polarizability 19.347082 Å3 Polar Surface Area 52.08 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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