2-Bromo-5-(1H-pyrazol-1-yl)pyrazine
Basic information
- CAS
1159816-09-7- Standard SMILES
Brc1cnc(-n2cccn2)cn1- InChIKey
LPBOMEVIVDARLJ-UHFFFAOYSA-N- Molecular formula
- C7H5BrN4
- Average molar mass
- 225.05 g/mol
- Monoisotopic mass
- 223.96976
Names & identifiers
- Preferred name
- 2-Bromo-5-(1H-pyrazol-1-yl)pyrazine
- IUPAC
- 2-bromo-5-pyrazol-1-ylpyrazine
- English name
- 2-bromo-5-pyrazol-1-ylpyrazine
- Molecular formula
- C7H5BrN4
- Molecular weight
- 225.05
Names & synonyms
2-BROMO-5-(1H-PYRAZOL-1-YL)PYRAZINE1159816-09-7RefChem:2572822-bromo-5-pyrazol-1-ylpyrazineDTXSID601295264AKOS015947414AB54083CS-36328DB-164048Pyrazine, 2-bromo-5-(1H-pyrazol-1-yl)-
Database identifiers
- CAS
1159816-09-7- PubChem CID
- 45787481
- DTXSID
DTXSID601295264
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Boiling point
- 313.9 · 313.9±42.0 °C(Predicted)
- Density
- 1.79 · 1.79±0.1 g/cm3(Predicted)
- pka
- -3.31 · -3.31±0.19(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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