Basic information
- CAS
91093-38-8- Standard SMILES
O=C(Nc1ccccc1O)c1cnccn1- InChIKey
BRBUXODJYTWKCY-UHFFFAOYSA-N- Molecular formula
- C11H9N3O2
- Average molar mass
- 215.21 g/mol
- Monoisotopic mass
- 215.06947654
Names & identifiers
- Preferred name
- N-(2-hydroxyphenyl)-2-pyrazinecarboxamide
- IUPAC
- N-(2-hydroxyphenyl)pyrazine-2-carboxamide
- English name
- N-(2-hydroxyphenyl)-2-pyrazinecarboxamide
- Molecular formula
- C11H9N3O2
- Molecular weight
- 215.21
Names & synonyms
N-(2-hydroxyphenyl)-2-pyrazinecarboxamideN-(2-hydroxyphenyl)pyrazine-2-carboxamideOprea1_139106DTXSID801272557AKOS00876458891093-38-82-Pyrazinecarboxamide, N-(2-hydroxyphenyl)-
Database identifiers
- CAS
91093-38-8- PubChem CID
- 856573
- DTXSID
DTXSID801272557
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 303.21 · 303.210±32.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.405 · 1.405±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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