2-(Bromomethyl)pyrazine
PubChem CID: 12752238
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-(Bromomethyl)pyrazine, 60023-35-0, Pyrazine, (bromomethyl)- (9CI), DTXSID30508928, 2-Bromomethyl-pyrazine, Pyrazine, (bromomethyl)-, SCHEMBL1096511, DTXCID40459735, AKOS007930765, DB-010193, EN300-1600630, 815-006-6 |
|---|---|
| Topological Polar Surface Area | 25.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 67.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(bromomethyl)pyrazine |
| Prediction Hob | 1.0 |
| Xlogp | 0.4 |
| Molecular Formula | C5H5BrN2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VNMORBLLLTZLLT-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | 0.757 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.876 |
| Compound Name | 2-(Bromomethyl)pyrazine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 171.964 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 171.964 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 173.01 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6536806 |
| Inchi | InChI=1S/C5H5BrN2/c6-3-5-4-7-1-2-8-5/h1-2,4H,3H2 |
| Smiles | C1=CN=C(C=N1)CBr |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients