Home > Compound List > Compound details
27825-20-3 molecular structure
click picture or here to close

methyl 3-hydroxypyrazine-2-carboxylate

ChemBase ID: 69102
Molecular Formular: C6H6N2O3
Molecular Mass: 154.12344
Monoisotopic Mass: 154.03784206
SMILES and InChIs

SMILES:
c1(c(nccn1)O)C(=O)OC
Canonical SMILES:
COC(=O)c1nccnc1O
InChI:
InChI=1S/C6H6N2O3/c1-11-6(10)4-5(9)8-3-2-7-4/h2-3H,1H3,(H,8,9)
InChIKey:
YVUBNSIFWJGXBQ-UHFFFAOYSA-N

Cite this record

CBID:69102 http://www.chembase.cn/molecule-69102.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 3-hydroxypyrazine-2-carboxylate
IUPAC Traditional name
methyl 3-hydroxypyrazine-2-carboxylate
Synonyms
Methyl 2-hydroxy-3-pyrazinecarboxylate
Methyl 3-hydroxypyrazine-2-carboxylate
CAS Number
27825-20-3
MDL Number
MFCD03093338
PubChem SID
162034831
PubChem CID
1514283

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.955482  H Acceptors
H Donor LogD (pH = 5.5) 0.66811895 
LogD (pH = 7.4) 0.6680018  Log P 0.66812044 
Molar Refractivity 35.6919 cm3 Polarizability 13.707098 Å3
Polar Surface Area 72.31 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
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle