2-(2-Furanyl)pyrazine
Basic information
- CAS
32736-95-1- Standard SMILES
c1coc(-c2cnccn2)c1- InChIKey
XAZULAQXFJZQTJ-UHFFFAOYSA-N- Molecular formula
- C8H6N2O
- Average molar mass
- 146.15 g/mol
- Monoisotopic mass
- 146.04801282
Names & identifiers
- Preferred name
- 2-(2-Furanyl)pyrazine
- IUPAC
- 2-(furan-2-yl)pyrazine
- English name
- 2-(2-Furanyl)pyrazine
- Molecular formula
- C8H6N2O
- Molecular weight
- 146.15
Names & synonyms
2-(furan-2-yl)pyrazine2-(2-Furanyl)pyrazine32736-95-12-Furanylpyrazine2-(2-Furyl)pyrazineNS6MOI8J59(2'-Furyl)pyrazineFurylpyrazine2-FurylpyrazinePyrazine, 2-furanyl-starbld00442692-(2'-Furyl)pyrazine
Show more names
Pyrazine, 2-(2-furanyl)-
UNII-NS6MOI8J59SCHEMBL570221SCHEMBL5301835SCHEMBL6383154SCHEMBL28778209DTXSID80954395XAZULAQXFJZQTJ-UHFFFAOYSA-NCS-35556
Database identifiers
- CAS
32736-95-1- PubChem CID
- 529883
- DTXSID
DTXSID80954395- UNII
- NS6MOI8J59
- Nikkaji
- J624.959K
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Melting point
- 185 · 185-186 °C(Solv: ethanol (64-17-5))
- Boiling point
- 241.7 · 241.7±25.0 °C(Predicted)
- Density
- 1.179 · 1.179±0.06 g/cm3(Predicted)
- pka
- 0.47 · 0.47±0.10(Predicted)
- LogP
- 1.815 · 1.815 (est)
- FDA UNII
- 6 MOI8J59 · NS6MOI8J59
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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