Home > Compound List > Compound details
33332-30-8 molecular structure
click picture or here to close

2-chloro-6-methoxypyrazine

ChemBase ID: 64199
Molecular Formular: C5H5ClN2O
Molecular Mass: 144.559
Monoisotopic Mass: 144.00904047
SMILES and InChIs

SMILES:
n1c(Cl)cncc1OC
Canonical SMILES:
COc1cncc(n1)Cl
InChI:
InChI=1S/C5H5ClN2O/c1-9-5-3-7-2-4(6)8-5/h2-3H,1H3
InChIKey:
XWSSFRJLOZQOCX-UHFFFAOYSA-N

Cite this record

CBID:64199 http://www.chembase.cn/molecule-64199.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-6-methoxypyrazine
IUPAC Traditional name
2-chloro-6-methoxy-pyrazine
Synonyms
2-Chloro-6-methoxypyrazine
CAS Number
33332-30-8
MDL Number
MFCD06410937
PubChem SID
162029938
PubChem CID
11018999

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.79890877  LogD (pH = 7.4) 0.79890907 
Log P 0.79890907  Molar Refractivity 34.387 cm3
Polarizability 13.08951 Å3 Polar Surface Area 35.01 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.364 expand Show data source
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